G836-0237 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide

G836-0237 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
G836-0237 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0237
2-{[(2-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-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

G836-0237

Molecular Formula

C26H28ClN3O3S (C26 H28 ClN3 O3 S)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-34-dihydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(N=C(N2CC3OCCC3)SCc(cccc3)c3Cl)c1C2=O)NC1CCCC1

InChI

InChI=1S/C26H28ClN3O3S/c27-22-10-4-1-6-18(22)16-34-26-29-23-14-17(24(31)28-19-7-2-3-8-19)11-12-21(23)25(32)30(26)15-20-9-5-13-33-20/h1,4,6,10-12,14,19-20H,2-3,5,7-9,13,15-16H2,(H,28,31)/t20-/m1/s1

InChI Key

PQVXPTOGBWKLDE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27164495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.564

Distribution Coefficient, logD

4.564

Water Solubility, LogSw

-4.61

Polar Surface Area

58.930

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

G836-0237 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G836-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0237?
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What is the minimum amount of G836-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0237
  • 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 G836-0237 available by request