C202-3055 Screening compound: 9-(2,6-dichlorophenyl)-6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-3055 Screening compound: 9-(2,6-dichlorophenyl)-6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-3055 Screening compound: 9-(2,6-dichlorophenyl)-6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-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 C202-3055
9-(2,6-dichlorophenyl)-6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-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

C202-3055

Molecular Formula

C25H24Cl2N4OS (C25 H24 Cl2 N4 OS)

Compound Name

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

IUPAC name

9-(26-dichlorophenyl)-66-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SCc3c(C)cccc3)nn2C2c(c(Cl)ccc3)c3Cl)=C2C1=O

InChI

InChI=1S/C25H24Cl2N4OS/c1-14-7-4-5-8-15(14)13-33-24-29-23-28-18-11-25(2,3)12-19(32)21(18)22(31(23)30-24)20-16(26)9-6-10-17(20)27/h4-10,22H,11-13H2,1-3H3,(H,28,29,30)/t22-/m0/s1

InChI Key

TUNOOHWAVQXJPT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14731469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.534

Distribution Coefficient, logD

6.463

Water Solubility, LogSw

-6.12

Polar Surface Area

49.067

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C202-3055 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 C202-3055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3055?
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What is the minimum amount of C202-3055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3055
  • 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 C202-3055 available by request