G836-0405 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

G836-0405 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
G836-0405 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G836-0405
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2-methylpropyl)-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

G836-0405

Molecular Formula

C23H25ClFN3O2S (C23 H25 ClFN3 O2 S)

Compound Name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-(propan-2-yl)-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)CN1C(SCc(c(F)ccc2)c2Cl)=Nc(cc(cc2)C(NC(C)C)=O)c2C1=O

InChI

InChI=1S/C23H25ClFN3O2S/c1-13(2)11-28-22(30)16-9-8-15(21(29)26-14(3)4)10-20(16)27-23(28)31-12-17-18(24)6-5-7-19(17)25/h5-10,13-14H,11-12H2,1-4H3,(H,26,29)

InChI Key

PUMXYMREGCQCRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.99

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

5.128

Distribution Coefficient, logD

5.128

Water Solubility, LogSw

-5.39

Polar Surface Area

49.702

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with G836-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G836-0405?
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What is the minimum amount of G836-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G836-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G836-0405
  • 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 G836-0405 available by request