G629-0081 Screening compound: 4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-(propan-2-yl)benzamide

G629-0081 Screening compound: 4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-(propan-2-yl)benzamide
G629-0081 Screening compound: 4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0081
4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-(propan-2-yl)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

G629-0081

Molecular Formula

C27H27N3O2S (C27 H27 N3 O2 S)

Compound Name

4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-(propan-2-yl)benzamide

IUPAC name

4-[(2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazolin-3-yl)methyl]-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c1ccc(CN2C(SCc3cc(C)ccc3)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C27H27N3O2S/c1-18(2)28-25(31)22-13-11-20(12-14-22)16-30-26(32)23-9-4-5-10-24(23)29-27(30)33-17-21-8-6-7-19(3)15-21/h4-15,18H,16-17H2,1-3H3,(H,28,31)

InChI Key

IMUFGNYVBFSHSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

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

5.065

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-4.61

Polar Surface Area

49.430

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with G629-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0081?
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What is the minimum amount of G629-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0081
  • 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 G629-0081 available by request