C202-2271 Screening compound: 9-(2,3-dimethoxyphenyl)-2-(hexylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2271 Screening compound: 9-(2,3-dimethoxyphenyl)-2-(hexylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2271 Screening compound: 9-(2,3-dimethoxyphenyl)-2-(hexylsulfanyl)-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 C202-2271
9-(2,3-dimethoxyphenyl)-2-(hexylsulfanyl)-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

C202-2271

Molecular Formula

C23H30N4O3S (C23 H30 N4 O3 S)

Compound Name

9-(2,3-dimethoxyphenyl)-2-(hexylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(23-dimethoxyphenyl)-2-(hexylsulfanyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CCCCCCSc1nn(C(c(cccc2OC)c2OC)C(C(CCC2)=O)=C2N2)c2n1

InChI

InChI=1S/C23H30N4O3S/c1-4-5-6-7-14-31-23-25-22-24-16-11-9-12-17(28)19(16)20(27(22)26-23)15-10-8-13-18(29-2)21(15)30-3/h8,10,13,20H,4-7,9,11-12,14H2,1-3H3,(H,24,25,26)/t20-/m0/s1

InChI Key

HNVABUFFDIAJPQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14730875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.597

Distribution Coefficient, logD

5.491

Water Solubility, LogSw

-5.23

Polar Surface Area

64.686

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

C202-2271 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C202-2271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2271?
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What is the minimum amount of C202-2271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2271
  • 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 C202-2271 available by request