P431-0102 Screening compound: 3-(dimethylamino)-N-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide

P431-0102 Screening compound: 3-(dimethylamino)-N-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide
P431-0102 Screening compound: 3-(dimethylamino)-N-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P431-0102
3-(dimethylamino)-N-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-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

P431-0102

Molecular Formula

C18H21N7O (C18 H21 N7 O)

Compound Name

3-(dimethylamino)-N-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide

IUPAC name

3-(dimethylamino)-N-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide

SMILES

CN(C)c1cccc(C(Nc2cn(-c(nc3)ncc3N(C)C)nc2)=O)c1

InChI

InChI=1S/C18H21N7O/c1-23(2)15-7-5-6-13(8-15)17(26)22-14-9-21-25(12-14)18-19-10-16(11-20-18)24(3)4/h5-12H,1-4H3,(H,22,26)

InChI Key

KMFZAWWOIMWZNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.880

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-2.64

Polar Surface Area

61.838

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

P431-0102 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P431-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P431-0102?
Check Price and Availability of P431-0102, 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 P431-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P431-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P431-0102
  • 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 P431-0102 available by request