G345-0226 Screening compound: 4-[(1-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide

G345-0226 Screening compound: 4-[(1-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide
G345-0226 Screening compound: 4-[(1-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G345-0226
4-[(1-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide

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

G345-0226

Molecular Formula

C28H26N4O8 (C28 H26 N4 O8)

Compound Name

4-[(1-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide

IUPAC name

4-[(1-{[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}-67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-methylbenzamide

SMILES

CNC(c1ccc(CN(C(c(cc(c(OC)c2)OC)c2N2CC(Nc(cc3)cc4c3OCO4)=O)=O)C2=O)cc1)=O

InChI

InChI=1S/C28H26N4O8/c1-29-26(34)17-6-4-16(5-7-17)13-32-27(35)19-11-22(37-2)23(38-3)12-20(19)31(28(32)36)14-25(33)30-18-8-9-21-24(10-18)40-15-39-21/h4-12H,13-15H2,1-3H3,(H,29,34)(H,30,33)

InChI Key

MDUFLMIONWNUGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27136464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.851

Distribution Coefficient, logD

2.851

Water Solubility, LogSw

-3.43

Polar Surface Area

111.628

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G345-0226 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G345-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G345-0226?
Check Price and Availability of G345-0226, 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 G345-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G345-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G345-0226
  • 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 G345-0226 available by request