K403-0792 Screening compound: 2,4-diethyl 5-(2-{[4-butyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate

K403-0792 Screening compound: 2,4-diethyl 5-(2-{[4-butyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
K403-0792 Screening compound: 2,4-diethyl 5-(2-{[4-butyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-0792
2,4-diethyl 5-(2-{[4-butyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate

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

K403-0792

Molecular Formula

C28H32F3N5O6S2 (C28 H32 F3 N5 O6 S2)

Compound Name

2,4-diethyl 5-(2-{[4-butyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-(2-{[4-butyl-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-124-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-24-dicarboxylate

SMILES

CCCCn1c(SCC(Nc2c(C(OCC)=O)c(C)c(C(OCC)=O)s2)=O)nnc1CNC(c1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C28H32F3N5O6S2/c1-5-8-13-36-19(14-32-23(38)17-11-9-10-12-18(17)28(29,30)31)34-35-27(36)43-15-20(37)33-24-21(25(39)41-6-2)16(4)22(44-24)26(40)42-7-3/h9-12H,5-8,13-15H2,1-4H3,(H,32,38)(H,33,37)

InChI Key

MHLABMKJZQDDSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04411174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

655.72

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.742

Distribution Coefficient, logD

2.867

Water Solubility, LogSw

-4.51

Polar Surface Area

114.331

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with K403-0792 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K403-0792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0792
  • 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 K403-0792 available by request