C191-0272 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

C191-0272 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide
C191-0272 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C191-0272
N-{2-[butyl(methyl)amino]ethyl}-4-[(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

C191-0272

Molecular Formula

C25H32N4O5 (C25 H32 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)CCNC(c1ccc(CN(C(c(cc(c(OC)c2)OC)c2N2)=O)C2=O)cc1)=O

InChI

InChI=1S/C25H32N4O5/c1-5-6-12-28(2)13-11-26-23(30)18-9-7-17(8-10-18)16-29-24(31)19-14-21(33-3)22(34-4)15-20(19)27-25(29)32/h7-10,14-15H,5-6,11-13,16H2,1-4H3,(H,26,30)(H,27,32)

InChI Key

GOJBLVPGPHXPID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

1.681

Water Solubility, LogSw

-3.20

Polar Surface Area

84.340

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C191-0272 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C191-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C191-0272?
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What is the minimum amount of C191-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C191-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C191-0272
  • 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 C191-0272 available by request