D475-2195 Screening compound: ethyl 2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

D475-2195 Screening compound: ethyl 2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
D475-2195 Screening compound: ethyl 2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D475-2195
ethyl 2-{4-[(2-chlorophenyl)methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

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

D475-2195

Molecular Formula

C18H18ClN3O3S (C18 H18 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)nc(-n2nc(C)c(Cc(cccc3)c3Cl)c2O)s1)=O

InChI

InChI=1S/C18H18ClN3O3S/c1-4-25-17(24)15-11(3)20-18(26-15)22-16(23)13(10(2)21-22)9-12-7-5-6-8-14(12)19/h5-8,23H,4,9H2,1-3H3

InChI Key

NRZAGMOJGAABMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.88

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

4.271

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-4.10

Polar Surface Area

60.968

Acid Dissociation Constant (pKa)

6.01

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D475-2195 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D475-2195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D475-2195?
Check Price and Availability of D475-2195, 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 D475-2195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D475-2195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D475-2195
  • 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 D475-2195 available by request