C650-0123 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C650-0123 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C650-0123 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C650-0123
2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

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

C650-0123

Molecular Formula

C24H23ClN4O3S (C24 H23 ClN4 O3 S)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(34-dimethoxyphenyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

COc(ccc(C(C(C(CCC1)=O)=C1Nc1n2)n1nc2SCc1cccc(Cl)c1)c1)c1OC

InChI

InChI=1S/C24H23ClN4O3S/c1-31-19-10-9-15(12-20(19)32-2)22-21-17(7-4-8-18(21)30)26-23-27-24(28-29(22)23)33-13-14-5-3-6-16(25)11-14/h3,5-6,9-12,22H,4,7-8,13H2,1-2H3,(H,26,27,28)/t22-/m0/s1

InChI Key

IELREQRZBOLMRH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD09799058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.938

Distribution Coefficient, logD

4.876

Water Solubility, LogSw

-5.12

Polar Surface Area

64.327

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C650-0123 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C650-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C650-0123?
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What is the minimum amount of C650-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C650-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C650-0123
  • 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 C650-0123 available by request