D491-9612 Screening compound: 2-bromo-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}benzamide

D491-9612 Screening compound: 2-bromo-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}benzamide
D491-9612 Screening compound: 2-bromo-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9612
2-bromo-N-{1-[(4-methylphenyl)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

D491-9612

Molecular Formula

C18H16BrN3O (C18 H16 BrN3 O)

Compound Name

2-bromo-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}benzamide

IUPAC name

2-bromo-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}benzamide

SMILES

Cc1ccc(Cn2nccc2NC(c(cccc2)c2Br)=O)cc1

InChI

InChI=1S/C18H16BrN3O/c1-13-6-8-14(9-7-13)12-22-17(10-11-20-22)21-18(23)15-4-2-3-5-16(15)19/h2-11H,12H2,1H3,(H,21,23)

InChI Key

PVCAABBPDKFVEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.25

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

3.739

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-3.91

Polar Surface Area

37.763

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D491-9612 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D491-9612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9612?
Check Price and Availability of D491-9612, 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 D491-9612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9612
  • 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 D491-9612 available by request