D430-0354 Screening compound: 3-chloro-N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzamide

D430-0354 Screening compound: 3-chloro-N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzamide
D430-0354 Screening compound: 3-chloro-N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D430-0354
3-chloro-N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)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

D430-0354

Molecular Formula

C22H22ClN5O (C22 H22 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H22ClN5O/c1-15-24-20(14-21(25-15)28-11-2-3-12-28)26-18-7-9-19(10-8-18)27-22(29)16-5-4-6-17(23)13-16/h4-10,13-14H,2-3,11-12H2,1H3,(H,27,29)(H,24,25,26)

InChI Key

YYIOGKINBYGTIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.272

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-5.81

Polar Surface Area

54.275

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D430-0354 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D430-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D430-0354?
Check Price and Availability of D430-0354, 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 D430-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D430-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D430-0354
  • 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 D430-0354 available by request