G836-0343 Screening compound: 2-[(cyanomethyl)sulfanyl]-3-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G836-0343 Screening compound: 2-[(cyanomethyl)sulfanyl]-3-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G836-0343 Screening compound: 2-[(cyanomethyl)sulfanyl]-3-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0343
2-[(cyanomethyl)sulfanyl]-3-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

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

G836-0343

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

2-[(cyanomethyl)sulfanyl]-3-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-[(cyanomethyl)sulfanyl]-3-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(N=C(N2CCOC)SCC#N)c1C2=O)=O

InChI

InChI=1S/C18H22N4O3S/c1-12(2)11-20-16(23)13-4-5-14-15(10-13)21-18(26-9-6-19)22(17(14)24)7-8-25-3/h4-5,10,12H,7-9,11H2,1-3H3,(H,20,23)

InChI Key

RRXSZYGACNZUGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.376

Distribution Coefficient, logD

1.376

Water Solubility, LogSw

-2.50

Polar Surface Area

76.812

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G836-0343 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G836-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0343?
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What is the minimum amount of G836-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0343
  • 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 G836-0343 available by request