D430-0363 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-(trifluoromethyl)benzamide

D430-0363 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-(trifluoromethyl)benzamide
D430-0363 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D430-0363
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-(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

D430-0363

Molecular Formula

C23H22F3N5O (C23 H22 F3 N5 O)

Compound Name

N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-(trifluoromethyl)benzamide

IUPAC name

N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-(trifluoromethyl)benzamide

SMILES

Cc1nc(N2CCCC2)cc(Nc(cc2)ccc2NC(c2cccc(C(F)(F)F)c2)=O)n1

InChI

InChI=1S/C23H22F3N5O/c1-15-27-20(14-21(28-15)31-11-2-3-12-31)29-18-7-9-19(10-8-18)30-22(32)16-5-4-6-17(13-16)23(24,25)26/h4-10,13-14H,2-3,11-12H2,1H3,(H,30,32)(H,27,28,29)

InChI Key

ABQLEEKLUPFTMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828414

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

5.412

Distribution Coefficient, logD

5.128

Water Solubility, LogSw

-5.52

Polar Surface Area

54.275

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D430-0363 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D430-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D430-0363?
Check Price and Availability of D430-0363, 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 D430-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D430-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D430-0363
  • 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 D430-0363 available by request