G836-0428 Screening compound: N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G836-0428 Screening compound: N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G836-0428 Screening compound: N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0428
N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(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

G836-0428

Molecular Formula

C27H33N3O2S (C27 H33 N3 O2 S)

Compound Name

N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-cyclopentyl-2-{[(25-dimethylphenyl)methyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)CN1C(SCc2c(C)ccc(C)c2)=Nc(cc(cc2)C(NC3CCCC3)=O)c2C1=O

InChI

InChI=1S/C27H33N3O2S/c1-17(2)15-30-26(32)23-12-11-20(25(31)28-22-7-5-6-8-22)14-24(23)29-27(30)33-16-21-13-18(3)9-10-19(21)4/h9-14,17,22H,5-8,15-16H2,1-4H3,(H,28,31)

InChI Key

JHGXVUOILOEEBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.330

Distribution Coefficient, logD

6.330

Water Solubility, LogSw

-5.36

Polar Surface Area

50.547

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G836-0428 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G836-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0428?
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What is the minimum amount of G836-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0428
  • 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 G836-0428 available by request