D430-0362 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-(trifluoromethyl)benzamide

D430-0362 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-(trifluoromethyl)benzamide
D430-0362 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D430-0362
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-(trifluoromethyl)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

D430-0362

Molecular Formula

C23H22F3N5O (C23 H22 F3 N5 O)

Compound Name

N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-(trifluoromethyl)benzamide

IUPAC name

N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-(trifluoromethyl)benzamide

SMILES

Cc1nc(N2CCCC2)cc(Nc(cc2)ccc2NC(c2c(C(F)(F)F)cccc2)=O)n1

InChI

InChI=1S/C23H22F3N5O/c1-15-27-20(14-21(28-15)31-12-4-5-13-31)29-16-8-10-17(11-9-16)30-22(32)18-6-2-3-7-19(18)23(24,25)26/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,30,32)(H,27,28,29)

InChI Key

BPQUGRQEVLGYCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.632

Water Solubility, LogSw

-4.59

Polar Surface Area

54.275

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D430-0362 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D430-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D430-0362?
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What is the minimum amount of D430-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D430-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D430-0362
  • 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 D430-0362 available by request