8003-0407 Screening compound: propan-2-yl 4-{[3-cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

8003-0407 Screening compound: propan-2-yl 4-{[3-cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
8003-0407 Screening compound: propan-2-yl 4-{[3-cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0407
propan-2-yl 4-{[3-cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

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

8003-0407

Molecular Formula

C23H19FN2O3S2 (C23 H19 FN2 O3 S2)

Compound Name

propan-2-yl 4-{[3-cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

IUPAC name

propan-2-yl 4-{[3-cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

SMILES

CC(C)OC(CC(CSc(nc(cc1-c(cc2)ccc2F)-c2cccs2)c1C#N)=O)=O

InChI

InChI=1S/C23H19FN2O3S2/c1-14(2)29-22(28)10-17(27)13-31-23-19(12-25)18(15-5-7-16(24)8-6-15)11-20(26-23)21-4-3-9-30-21/h3-9,11,14H,10,13H2,1-2H3

InChI Key

YJZKICLOHKKLJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.505

Distribution Coefficient, logD

5.505

Water Solubility, LogSw

-5.46

Polar Surface Area

59.110

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

8003-0407 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0407?
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What is the minimum amount of 8003-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0407
  • 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 8003-0407 available by request