K400-10022 Screening compound: N-{[4-(4-bromophenyl)-5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

K400-10022 Screening compound: N-{[4-(4-bromophenyl)-5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
K400-10022 Screening compound: N-{[4-(4-bromophenyl)-5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-10022
N-{[4-(4-bromophenyl)-5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

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

K400-10022

Molecular Formula

C22H17BrFN5O3S (C22 H17 BrFN5 O3 S)

Compound Name

N-{[4-(4-bromophenyl)-5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

IUPAC name

N-{[4-(4-bromophenyl)-5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}furan-2-carboxamide

SMILES

O=C(CSc1nnc(CNC(c2ccco2)=O)n1-c(cc1)ccc1Br)Nc(cccc1)c1F

InChI

InChI=1S/C22H17BrFN5O3S/c23-14-7-9-15(10-8-14)29-19(12-25-21(31)18-6-3-11-32-18)27-28-22(29)33-13-20(30)26-17-5-2-1-4-16(17)24/h1-11H,12-13H2,(H,25,31)(H,26,30)

InChI Key

AFKCNHRFCIRWTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

3.364

Water Solubility, LogSw

-3.64

Polar Surface Area

81.403

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with K400-10022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-10022?
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What is the minimum amount of K400-10022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-10022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-10022
  • 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 K400-10022 available by request