0490-5709 Screening compound: 2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide

0490-5709 Screening compound: 2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
0490-5709 Screening compound: 2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0490-5709
2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide

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

0490-5709

Molecular Formula

C11H9ClN4O3S2 (C11 H9 ClN4 O3 S2)

Compound Name

2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide

IUPAC name

2-chloro-N-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-4-nitrobenzamide

SMILES

CCSc1nnc(NC(c(ccc([N+]([O-])=O)c2)c2Cl)=O)s1

InChI

InChI=1S/C11H9ClN4O3S2/c1-2-20-11-15-14-10(21-11)13-9(17)7-4-3-6(16(18)19)5-8(7)12/h3-5H,2H2,1H3,(H,13,14,17)

InChI Key

KHBSAUFYKIBUGK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-4.55

Polar Surface Area

79.617

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 0490-5709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0490-5709?
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What is the minimum amount of 0490-5709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0490-5709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0490-5709
  • 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 0490-5709 available by request