D491-9816 Screening compound: 3-chloro-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}benzamide

D491-9816 Screening compound: 3-chloro-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}benzamide
D491-9816 Screening compound: 3-chloro-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9816
3-chloro-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}benzamide

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

D491-9816

Molecular Formula

C15H12ClN3OS (C15 H12 ClN3 OS)

Compound Name

3-chloro-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}benzamide

IUPAC name

3-chloro-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}benzamide

SMILES

O=C(c1cccc(Cl)c1)Nc1ccnn1Cc1cccs1

InChI

InChI=1S/C15H12ClN3OS/c16-12-4-1-3-11(9-12)15(20)18-14-6-7-17-19(14)10-13-5-2-8-21-13/h1-9H,10H2,(H,18,20)

InChI Key

ULEAHRAQUHNBEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10720049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.93

Polar Surface Area

38.781

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D491-9816 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 D491-9816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9816?
Check Price and Availability of D491-9816, 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 D491-9816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9816
  • 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 D491-9816 available by request