D475-2172 Screening compound: N-benzyl-2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide

D475-2172 Screening compound: N-benzyl-2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide
D475-2172 Screening compound: N-benzyl-2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D475-2172
N-benzyl-2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-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

D475-2172

Molecular Formula

C23H21ClN4O2S (C23 H21 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(Cc(cccc1)c1Cl)c1O)nn1-c1nc(C)c(C(NCc2ccccc2)=O)s1

InChI

InChI=1S/C23H21ClN4O2S/c1-14-18(12-17-10-6-7-11-19(17)24)22(30)28(27-14)23-26-15(2)20(31-23)21(29)25-13-16-8-4-3-5-9-16/h3-11,30H,12-13H2,1-2H3,(H,25,29)

InChI Key

MPLBSDDTRHEWND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.710

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-4.40

Polar Surface Area

64.627

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D475-2172 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D475-2172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D475-2172?
Check Price and Availability of D475-2172, 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 D475-2172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D475-2172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D475-2172
  • 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 D475-2172 available by request