D458-1078 Screening compound: 2-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-N-phenylacetamide

D458-1078 Screening compound: 2-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-N-phenylacetamide
D458-1078 Screening compound: 2-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-1078
2-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-N-phenylacetamide

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

D458-1078

Molecular Formula

C22H19FN4OS (C22 H19 FN4 OS)

Compound Name

2-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-N-phenylacetamide

IUPAC name

2-{1-[4-(4-fluorophenyl)-13-thiazol-2-yl]-35-dimethyl-1H-pyrazol-4-yl}-N-phenylacetamide

SMILES

Cc1c(CC(Nc2ccccc2)=O)c(C)nn1-c1nc(-c(cc2)ccc2F)cs1

InChI

InChI=1S/C22H19FN4OS/c1-14-19(12-21(28)24-18-6-4-3-5-7-18)15(2)27(26-14)22-25-20(13-29-22)16-8-10-17(23)11-9-16/h3-11,13H,12H2,1-2H3,(H,24,28)

InChI Key

CDCKEQFZCAENKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.833

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-4.64

Polar Surface Area

47.083

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D458-1078 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D458-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-1078?
Check Price and Availability of D458-1078, 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 D458-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-1078
  • 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 D458-1078 available by request