K401-2424 Screening compound: 2-methyl-3-nitro-N-[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

K401-2424 Screening compound: 2-methyl-3-nitro-N-[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
K401-2424 Screening compound: 2-methyl-3-nitro-N-[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K401-2424
2-methyl-3-nitro-N-[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-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

K401-2424

Molecular Formula

C15H12N6O4S3 (C15 H12 N6 O4 S3)

Compound Name

2-methyl-3-nitro-N-[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

2-methyl-3-nitro-N-[5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-134-thiadiazol-2-yl]benzamide

SMILES

Cc(c([N+]([O-])=O)ccc1)c1C(Nc1nnc(SCC(Nc2nccs2)=O)s1)=O

InChI

InChI=1S/C15H12N6O4S3/c1-8-9(3-2-4-10(8)21(24)25)12(23)18-14-19-20-15(28-14)27-7-11(22)17-13-16-5-6-26-13/h2-6H,7H2,1H3,(H,16,17,22)(H,18,19,23)

InChI Key

ISHBSNDYNQAGFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.294

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-3.93

Polar Surface Area

112.672

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with K401-2424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K401-2424?
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What is the minimum amount of K401-2424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K401-2424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K401-2424
  • 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 K401-2424 available by request