D475-2586 Screening compound: methyl 3-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}propanoate

D475-2586 Screening compound: methyl 3-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}propanoate
D475-2586 Screening compound: methyl 3-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D475-2586
methyl 3-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}propanoate

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

D475-2586

Molecular Formula

C17H16FN3O3S (C17 H16 FN3 O3 S)

Compound Name

methyl 3-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}propanoate

IUPAC name

methyl 3-{1-[4-(4-fluorophenyl)-13-thiazol-2-yl]-5-hydroxy-3-methyl-1H-pyrazol-4-yl}propanoate

SMILES

Cc(c(CCC(OC)=O)c1O)nn1-c1nc(-c(cc2)ccc2F)cs1

InChI

InChI=1S/C17H16FN3O3S/c1-10-13(7-8-15(22)24-2)16(23)21(20-10)17-19-14(9-25-17)11-3-5-12(18)6-4-11/h3-6,9,23H,7-8H2,1-2H3

InChI Key

WGUXRYFYPKRMGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

1.463

Water Solubility, LogSw

-3.65

Polar Surface Area

60.216

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D475-2586 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D475-2586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D475-2586?
Check Price and Availability of D475-2586, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D475-2586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D475-2586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D475-2586
  • 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 D475-2586 available by request