K401-1899 Screening compound: N-[5-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide

K401-1899 Screening compound: N-[5-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
K401-1899 Screening compound: N-[5-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K401-1899
N-[5-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-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

K401-1899

Molecular Formula

C17H12BrN5O4S2 (C17 H12 BrN5 O4 S2)

Compound Name

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

IUPAC name

N-[5-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-134-thiadiazol-2-yl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc1nnc(SCC(Nc(cc2)ccc2Br)=O)s1)=O)=O

InChI

InChI=1S/C17H12BrN5O4S2/c18-11-3-5-12(6-4-11)19-14(24)9-28-17-22-21-16(29-17)20-15(25)10-1-7-13(8-2-10)23(26)27/h1-8H,9H2,(H,19,24)(H,20,21,25)

InChI Key

WFLMKNOPYYWJCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.582

Water Solubility, LogSw

-4.70

Polar Surface Area

102.495

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with K401-1899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K401-1899?
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What is the minimum amount of K401-1899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K401-1899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K401-1899
  • 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 K401-1899 available by request