G836-0442 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G836-0442 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G836-0442 Screening compound: 2-{[(4-methylphenyl)methyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0442
2-{[(4-methylphenyl)methyl]sulfanyl}-N,3-bis(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

G836-0442

Molecular Formula

C25H31N3O2S (C25 H31 N3 O2 S)

Compound Name

2-{[(4-methylphenyl)methyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(4-methylphenyl)methyl]sulfanyl}-N3-bis(2-methylpropyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(N=C(N2CC(C)C)SCc3ccc(C)cc3)c1C2=O)=O

InChI

InChI=1S/C25H31N3O2S/c1-16(2)13-26-23(29)20-10-11-21-22(12-20)27-25(28(24(21)30)14-17(3)4)31-15-19-8-6-18(5)7-9-19/h6-12,16-17H,13-15H2,1-5H3,(H,26,29)

InChI Key

FNRNIDAFSYIISI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.956

Distribution Coefficient, logD

4.956

Water Solubility, LogSw

-4.46

Polar Surface Area

50.727

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with G836-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0442?
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What is the minimum amount of G836-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0442
  • 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 G836-0442 available by request