8010-1414 Screening compound: 2,4-diethyl 5-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate

8010-1414 Screening compound: 2,4-diethyl 5-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate
8010-1414 Screening compound: 2,4-diethyl 5-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1414
2,4-diethyl 5-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-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

8010-1414

Molecular Formula

C23H18ClF3N4O6S (C23 H18 ClF3 N4 O6 S)

Compound Name

2,4-diethyl 5-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c4ccco4)nc3c2Cl)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C23H18ClF3N4O6S/c1-4-35-21(33)14-10(3)17(22(34)36-5-2)38-20(14)29-19(32)16-15(24)18-28-11(12-7-6-8-37-12)9-13(23(25,26)27)31(18)30-16/h6-9H,4-5H2,1-3H3,(H,29,32)

InChI Key

UBCGIFONEMZDGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01528789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.93

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.077

Distribution Coefficient, logD

1.670

Water Solubility, LogSw

-5.64

Polar Surface Area

92.686

Acid Dissociation Constant (pKa)

3.99

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

8010-1414 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8010-1414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1414?
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What is the minimum amount of 8010-1414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1414
  • 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 8010-1414 available by request