K400-10315 Screening compound: N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

K400-10315 Screening compound: N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
K400-10315 Screening compound: N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-10315
N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}thiophene-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

K400-10315

Molecular Formula

C20H16F3N7O2S3 (C20 H16 F3 N7 O2 S3)

Compound Name

N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

IUPAC name

N-{[5-({[(5-methyl-134-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-124-triazol-3-yl]methyl}thiophene-2-carboxamide

SMILES

Cc1nnc(NC(CSc2nnc(CNC(c3cccs3)=O)n2-c2cc(C(F)(F)F)ccc2)=O)s1

InChI

InChI=1S/C20H16F3N7O2S3/c1-11-26-28-18(35-11)25-16(31)10-34-19-29-27-15(9-24-17(32)14-6-3-7-33-14)30(19)13-5-2-4-12(8-13)20(21,22)23/h2-8H,9-10H2,1H3,(H,24,32)(H,25,28,31)

InChI Key

AFDKUZOOSCVTEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.082

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-3.39

Polar Surface Area

97.893

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K400-10315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-10315?
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What is the minimum amount of K400-10315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-10315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-10315
  • 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 K400-10315 available by request