8430-1487 Screening compound: N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)phenyl]acetamide

8430-1487 Screening compound: N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)phenyl]acetamide
8430-1487 Screening compound: N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8430-1487
N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-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

8430-1487

Molecular Formula

C18H13ClN4O5S (C18 H13 ClN4 O5 S)

Compound Name

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

IUPAC name

N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)phenyl]acetamide

SMILES

CC(Nc1cccc(-c(o2)nnc2SCC(c(cc(cc2)[N+]([O-])=O)c2Cl)=O)c1)=O

InChI

InChI=1S/C18H13ClN4O5S/c1-10(24)20-12-4-2-3-11(7-12)17-21-22-18(28-17)29-9-16(25)14-8-13(23(26)27)5-6-15(14)19/h2-8H,9H2,1H3,(H,20,24)

InChI Key

HTVQJHUZCUMWNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08672591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.84

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.247

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-3.94

Polar Surface Area

99.954

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8430-1487 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8430-1487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8430-1487?
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What is the minimum amount of 8430-1487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8430-1487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8430-1487
  • 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 8430-1487 available by request