D005-0293 Screening compound: methyl 4-[8-cyano-3-(4-fluorophenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate

D005-0293 Screening compound: methyl 4-[8-cyano-3-(4-fluorophenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
D005-0293 Screening compound: methyl 4-[8-cyano-3-(4-fluorophenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D005-0293
methyl 4-[8-cyano-3-(4-fluorophenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate

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

D005-0293

Molecular Formula

C22H17FN2O4S (C22 H17 FN2 O4 S)

Compound Name

methyl 4-[8-cyano-3-(4-fluorophenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate

IUPAC name

methyl 4-[8-cyano-3-(4-fluorophenyl)-3-hydroxy-5-oxo-2H3H5H6H7H-[13]thiazolo[32-a]pyridin-7-yl]benzoate

SMILES

COC(c1ccc(C(CC(N23)=O)C(C#N)=C2SCC3(c(cc2)ccc2F)O)cc1)=O

InChI

InChI=1S/C22H17FN2O4S/c1-29-21(27)14-4-2-13(3-5-14)17-10-19(26)25-20(18(17)11-24)30-12-22(25,28)15-6-8-16(23)9-7-15/h2-9,17,28H,10,12H2,1H3

InChI Key

MPPIWXGNWVFYOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-3.33

Polar Surface Area

70.891

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with D005-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D005-0293?
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What is the minimum amount of D005-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D005-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D005-0293
  • 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 D005-0293 available by request