0831-1277 Screening compound: 2,3,4,5,6-pentachloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

0831-1277 Screening compound: 2,3,4,5,6-pentachloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
0831-1277 Screening compound: 2,3,4,5,6-pentachloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1277
2,3,4,5,6-pentachloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

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

0831-1277

Molecular Formula

C11H6Cl5N3OS (C11 H6 Cl5 N3 OS)

Compound Name

2,3,4,5,6-pentachloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

23456-pentachloro-N-(5-ethyl-134-thiadiazol-2-yl)benzamide

SMILES

CCc1nnc(NC(c(c(Cl)c(c(Cl)c2Cl)Cl)c2Cl)=O)s1

InChI

InChI=1S/C11H6Cl5N3OS/c1-2-3-18-19-11(21-3)17-10(20)4-5(12)7(14)9(16)8(15)6(4)13/h2H2,1H3,(H,17,19,20)

InChI Key

QERDWSLYGBNWCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.539

Distribution Coefficient, logD

0.272

Water Solubility, LogSw

-7.06

Polar Surface Area

47.370

Acid Dissociation Constant (pKa)

2.13

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

0831-1277 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0831-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1277?
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What is the minimum amount of 0831-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1277
  • 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 0831-1277 available by request