6466-0682 Screening compound: 2,4-diethyl 3-methyl-5-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate

6466-0682 Screening compound: 2,4-diethyl 3-methyl-5-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate
6466-0682 Screening compound: 2,4-diethyl 3-methyl-5-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0682
2,4-diethyl 3-methyl-5-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-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

6466-0682

Molecular Formula

C22H20F3N3O5S3 (C22 H20 F3 N3 O5 S3)

Compound Name

2,4-diethyl 3-methyl-5-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 3-methyl-5-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C22H20F3N3O5S3/c1-4-32-19(30)16-11(3)17(20(31)33-5-2)36-18(16)28-15(29)10-35-21-26-12(13-7-6-8-34-13)9-14(27-21)22(23,24)25/h6-9H,4-5,10H2,1-3H3,(H,28,29)

InChI Key

MEHAZGILCWGPPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.513

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-5.43

Polar Surface Area

82.458

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

6466-0682 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 6466-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0682?
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What is the minimum amount of 6466-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0682
  • 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 6466-0682 available by request