8013-5170 Screening compound: 2-{[5-(2,4-dichlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2,3-dimethylphenyl)acetamide

8013-5170 Screening compound: 2-{[5-(2,4-dichlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2,3-dimethylphenyl)acetamide
8013-5170 Screening compound: 2-{[5-(2,4-dichlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2,3-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5170
2-{[5-(2,4-dichlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2,3-dimethylphenyl)acetamide

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

8013-5170

Molecular Formula

C25H22Cl2N4OS (C25 H22 Cl2 N4 OS)

Compound Name

2-{[5-(2,4-dichlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2,3-dimethylphenyl)acetamide

IUPAC name

2-{[5-(24-dichlorophenyl)-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(23-dimethylphenyl)acetamide

SMILES

Cc1cccc(NC(CSc2nnc(-c(ccc(Cl)c3)c3Cl)n2-c2c(C)cccc2)=O)c1C

InChI

InChI=1S/C25H22Cl2N4OS/c1-15-8-6-9-21(17(15)3)28-23(32)14-33-25-30-29-24(19-12-11-18(26)13-20(19)27)31(25)22-10-5-4-7-16(22)2/h4-13H,14H2,1-3H3,(H,28,32)

InChI Key

UVEAQTUROWGXQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03459753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.729

Distribution Coefficient, logD

6.729

Water Solubility, LogSw

-6.28

Polar Surface Area

46.863

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8013-5170 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-5170 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8013-5170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5170
  • 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 8013-5170 available by request