D491-9829 Screening compound: 2,2-diphenyl-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}acetamide

D491-9829 Screening compound: 2,2-diphenyl-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}acetamide
D491-9829 Screening compound: 2,2-diphenyl-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9829
2,2-diphenyl-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}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

D491-9829

Molecular Formula

C22H19N3OS (C22 H19 N3 OS)

Compound Name

2,2-diphenyl-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}acetamide

IUPAC name

22-diphenyl-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}acetamide

SMILES

O=C(C(c1ccccc1)c1ccccc1)Nc1ccnn1Cc1cccs1

InChI

InChI=1S/C22H19N3OS/c26-22(24-20-13-14-23-25(20)16-19-12-7-15-27-19)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-15,21H,16H2,(H,24,26)

InChI Key

UUEVGVAYLKIBJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08488787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.39

Polar Surface Area

38.509

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D491-9829 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D491-9829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9829?
Check Price and Availability of D491-9829, 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 D491-9829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9829
  • 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 D491-9829 available by request