K400-10230 Screening compound: N-({5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide

K400-10230 Screening compound: N-({5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide
K400-10230 Screening compound: N-({5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}methyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-10230
N-({5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4-(2-methoxyphenyl)-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

K400-10230

Molecular Formula

C24H19ClF3N5O3S2 (C24 H19 ClF3 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1-n1c(SCC(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)nnc1CNC(c1cccs1)=O

InChI

InChI=1S/C24H19ClF3N5O3S2/c1-36-18-6-3-2-5-17(18)33-20(12-29-22(35)19-7-4-10-37-19)31-32-23(33)38-13-21(34)30-16-11-14(24(26,27)28)8-9-15(16)25/h2-11H,12-13H2,1H3,(H,29,35)(H,30,34)

InChI Key

YPOVCGAITSTBRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.431

Distribution Coefficient, logD

4.404

Water Solubility, LogSw

-4.61

Polar Surface Area

81.173

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with K400-10230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-10230?
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What is the minimum amount of K400-10230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-10230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-10230
  • 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 K400-10230 available by request