G345-0327 Screening compound: N-butyl-4-{[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

G345-0327 Screening compound: N-butyl-4-{[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide
G345-0327 Screening compound: N-butyl-4-{[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G345-0327
N-butyl-4-{[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G345-0327

Molecular Formula

C29H32N4O7 (C29 H32 N4 O7)

Compound Name

N-butyl-4-{[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

IUPAC name

N-butyl-4-{[1-({[(furan-2-yl)methyl]carbamoyl}methyl)-67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl]methyl}benzamide

SMILES

CCCCNC(c1ccc(CN(C(c(cc(c(OC)c2)OC)c2N2CC(NCc3ccco3)=O)=O)C2=O)cc1)=O

InChI

InChI=1S/C29H32N4O7/c1-4-5-12-30-27(35)20-10-8-19(9-11-20)17-33-28(36)22-14-24(38-2)25(39-3)15-23(22)32(29(33)37)18-26(34)31-16-21-7-6-13-40-21/h6-11,13-15H,4-5,12,16-18H2,1-3H3,(H,30,35)(H,31,34)

InChI Key

DAYHTQJPFSCHPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27136532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.736

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-3.96

Polar Surface Area

103.274

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

G345-0327 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Antibacterial Compounds Library (13827 compounds)

Peptidomimetic Library (37031 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G345-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G345-0327?
Check Price and Availability of G345-0327, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G345-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G345-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G345-0327
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G345-0327 available by request