8430-1496 Screening compound: N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide

8430-1496 Screening compound: N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide
8430-1496 Screening compound: N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8430-1496
N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)phenyl]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

8430-1496

Molecular Formula

C20H18ClN5O4S (C20 H18 ClN5 O4 S)

Compound Name

N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide

IUPAC name

N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-124-triazol-3-yl)phenyl]acetamide

SMILES

CCn1c(SCC(c(cc(cc2)[N+]([O-])=O)c2Cl)=O)nnc1-c1cc(NC(C)=O)ccc1

InChI

InChI=1S/C20H18ClN5O4S/c1-3-25-19(13-5-4-6-14(9-13)22-12(2)27)23-24-20(25)31-11-18(28)16-10-15(26(29)30)7-8-17(16)21/h4-10H,3,11H2,1-2H3,(H,22,27)

InChI Key

NNFIIYBJHSIDSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08672593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.91

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.55

Polar Surface Area

93.856

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8430-1496 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8430-1496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8430-1496?
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What is the minimum amount of 8430-1496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8430-1496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8430-1496
  • 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 8430-1496 available by request