G836-0085 Screening compound: 3-benzyl-2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G836-0085 Screening compound: 3-benzyl-2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G836-0085 Screening compound: 3-benzyl-2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0085
3-benzyl-2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(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

G836-0085

Molecular Formula

C27H25ClFN3O2S (C27 H25 ClFN3 O2 S)

Compound Name

3-benzyl-2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-benzyl-2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(N=C(N2Cc3ccccc3)SCc(ccc(F)c3)c3Cl)c1C2=O)=O

InChI

InChI=1S/C27H25ClFN3O2S/c1-17(2)14-30-25(33)19-9-11-22-24(12-19)31-27(35-16-20-8-10-21(29)13-23(20)28)32(26(22)34)15-18-6-4-3-5-7-18/h3-13,17H,14-16H2,1-2H3,(H,30,33)

InChI Key

AXULBBRACWCXEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.03

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

6.070

Distribution Coefficient, logD

6.070

Water Solubility, LogSw

-5.92

Polar Surface Area

50.456

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with G836-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0085?
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What is the minimum amount of G836-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0085
  • 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 G836-0085 available by request