D458-1253 Screening compound: 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-(4-ethoxyphenyl)acetamide

D458-1253 Screening compound: 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-(4-ethoxyphenyl)acetamide
D458-1253 Screening compound: 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-1253
2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-(4-ethoxyphenyl)acetamide

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

D458-1253

Molecular Formula

C20H24N4O2S (C20 H24 N4 O2 S)

Compound Name

2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-[1-(45-dimethyl-13-thiazol-2-yl)-35-dimethyl-1H-pyrazol-4-yl]-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(Cc1c(C)n(-c2nc(C)c(C)s2)nc1C)=O

InChI

InChI=1S/C20H24N4O2S/c1-6-26-17-9-7-16(8-10-17)22-19(25)11-18-13(3)23-24(14(18)4)20-21-12(2)15(5)27-20/h7-10H,6,11H2,1-5H3,(H,22,25)

InChI Key

JMMQFKULZNGJME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.503

Water Solubility, LogSw

-4.01

Polar Surface Area

55.055

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D458-1253 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D458-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-1253?
Check Price and Availability of D458-1253, 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 D458-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-1253
  • 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 D458-1253 available by request