K400-05915 Screening compound: 2,4-dimethoxy-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}benzamide

K400-05915 Screening compound: 2,4-dimethoxy-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}benzamide
K400-05915 Screening compound: 2,4-dimethoxy-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}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-05915
2,4-dimethoxy-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}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

K400-05915

Molecular Formula

C24H22F3N7O4S2 (C24 H22 F3 N7 O4 S2)

Compound Name

2,4-dimethoxy-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}benzamide

IUPAC name

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

SMILES

Cc1nnc(NC(CSc2nnc(CNC(c(ccc(OC)c3)c3OC)=O)n2-c2cc(C(F)(F)F)ccc2)=O)s1

InChI

InChI=1S/C24H22F3N7O4S2/c1-13-30-32-22(40-13)29-20(35)12-39-23-33-31-19(34(23)15-6-4-5-14(9-15)24(25,26)27)11-28-21(36)17-8-7-16(37-2)10-18(17)38-3/h4-10H,11-12H2,1-3H3,(H,28,36)(H,29,32,35)

InChI Key

ORNGPVHFKKOXLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-4.00

Polar Surface Area

112.049

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K400-05915 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K400-05915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-05915?
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What is the minimum amount of K400-05915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-05915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-05915
  • 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 K400-05915 available by request