D475-2168 Screening compound: 2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

D475-2168 Screening compound: 2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
D475-2168 Screening compound: 2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D475-2168
2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

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

D475-2168

Molecular Formula

C22H18ClFN4O2S (C22 H18 ClFN4 O2 S)

Compound Name

2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-N-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-N-(2-fluorophenyl)-4-methyl-13-thiazole-5-carboxamide

SMILES

Cc(c(Cc(cccc1)c1Cl)c1O)nn1-c1nc(C)c(C(Nc(cccc2)c2F)=O)s1

InChI

InChI=1S/C22H18ClFN4O2S/c1-12-15(11-14-7-3-4-8-16(14)23)21(30)28(27-12)22-25-13(2)19(31-22)20(29)26-18-10-6-5-9-17(18)24/h3-10,30H,11H2,1-2H3,(H,26,29)

InChI Key

ISYNJGJCZUYGKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.891

Distribution Coefficient, logD

3.481

Water Solubility, LogSw

-4.45

Polar Surface Area

62.607

Acid Dissociation Constant (pKa)

6.01

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D475-2168 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D475-2168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D475-2168?
Check Price and Availability of D475-2168, 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 D475-2168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D475-2168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D475-2168
  • 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 D475-2168 available by request