G836-0051 Screening compound: 3-benzyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

G836-0051 Screening compound: 3-benzyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
G836-0051 Screening compound: 3-benzyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0051
3-benzyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-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

G836-0051

Molecular Formula

C27H27N3O2S (C27 H27 N3 O2 S)

Compound Name

3-benzyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-benzyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)NC(c(cc1)cc(N=C(N2Cc3ccccc3)SCc3cc(C)ccc3)c1C2=O)=O

InChI

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

InChI Key

XCCUIIDIPSUULN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039608

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

5.386

Distribution Coefficient, logD

5.386

Water Solubility, LogSw

-5.31

Polar Surface Area

49.430

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with G836-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0051?
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What is the minimum amount of G836-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0051
  • 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 G836-0051 available by request