8014-7502 Screening compound: N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

8014-7502 Screening compound: N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
8014-7502 Screening compound: N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7502
N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]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

8014-7502

Molecular Formula

C18H14ClF3N4OS (C18 H14 ClF3 N4 OS)

Compound Name

N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-4-phenyl-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cc(n1-c2ccccc2)nnc1SCC(Nc(cc(C(F)(F)F)cc1)c1Cl)=O

InChI

InChI=1S/C18H14ClF3N4OS/c1-11-24-25-17(26(11)13-5-3-2-4-6-13)28-10-16(27)23-15-9-12(18(20,21)22)7-8-14(15)19/h2-9H,10H2,1H3,(H,23,27)

InChI Key

POAWWHUADGALTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03672275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.85

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

3.742

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-4.17

Polar Surface Area

48.213

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8014-7502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7502?
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What is the minimum amount of 8014-7502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7502
  • 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 8014-7502 available by request