K401-2402 Screening compound: N-[5-({[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide

K401-2402 Screening compound: N-[5-({[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide
K401-2402 Screening compound: N-[5-({[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K401-2402
N-[5-({[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-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

K401-2402

Molecular Formula

C16H15N7O4S3 (C16 H15 N7 O4 S3)

Compound Name

N-[5-({[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide

IUPAC name

N-[5-({[(5-ethyl-134-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-134-thiadiazol-2-yl]-2-methyl-3-nitrobenzamide

SMILES

CCc1nnc(NC(CSc2nnc(NC(c3c(C)c([N+]([O-])=O)ccc3)=O)s2)=O)s1

InChI

InChI=1S/C16H15N7O4S3/c1-3-12-19-20-14(29-12)17-11(24)7-28-16-22-21-15(30-16)18-13(25)9-5-4-6-10(8(9)2)23(26)27/h4-6H,3,7H2,1-2H3,(H,17,20,24)(H,18,21,25)

InChI Key

FWSGNBFNBFAKIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.720

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-4.05

Polar Surface Area

126.234

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K401-2402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K401-2402?
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What is the minimum amount of K401-2402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K401-2402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K401-2402
  • 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 K401-2402 available by request