K401-2632 Screening compound: 2-CHLORO-N-[5-({[(4-ETHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3,4-THIADIAZOL-2-YL]-5-NITROBENZAMIDE

K401-2632 Screening compound: 2-CHLORO-N-[5-({[(4-ETHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3,4-THIADIAZOL-2-YL]-5-NITROBENZAMIDE
K401-2632 Screening compound: 2-CHLORO-N-[5-({[(4-ETHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3,4-THIADIAZOL-2-YL]-5-NITROBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K401-2632
2-CHLORO-N-[5-({[(4-ETHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3,4-THIADIAZOL-2-YL]-5-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

K401-2632

Molecular Formula

C19H16ClN5O5S2 (C19 H16 ClN5 O5 S2)

Compound Name

2-CHLORO-N-[5-({[(4-ETHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3,4-THIADIAZOL-2-YL]-5-NITROBENZAMIDE

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1NC(CSc1nnc(NC(c(cc(cc2)[N+]([O-])=O)c2Cl)=O)s1)=O

InChI

InChI=1S/C19H16ClN5O5S2/c1-2-30-13-6-3-11(4-7-13)21-16(26)10-31-19-24-23-18(32-19)22-17(27)14-9-12(25(28)29)5-8-15(14)20/h3-9H,2,10H2,1H3,(H,21,26)(H,22,23,27)

InChI Key

POXHHHRSVAFNNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.95

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.729

Distribution Coefficient, logD

3.579

Water Solubility, LogSw

-4.94

Polar Surface Area

109.619

Acid Dissociation Constant (pKa)

6.28

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

K401-2632 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K401-2632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K401-2632?
Check Price and Availability of K401-2632, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K401-2632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K401-2632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K401-2632
  • 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 K401-2632 available by request