D430-0360 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzamide

D430-0360 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzamide
D430-0360 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D430-0360
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-3-nitrobenzamide

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

D430-0360

Molecular Formula

C22H22N6O3 (C22 H22 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N2CCCC2)cc(Nc(cc2)ccc2NC(c2cccc([N+]([O-])=O)c2)=O)n1

InChI

InChI=1S/C22H22N6O3/c1-15-23-20(14-21(24-15)27-11-2-3-12-27)25-17-7-9-18(10-8-17)26-22(29)16-5-4-6-19(13-16)28(30)31/h4-10,13-14H,2-3,11-12H2,1H3,(H,26,29)(H,23,24,25)

InChI Key

YVDSBNQHPQEFFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

4.270

Water Solubility, LogSw

-4.36

Polar Surface Area

87.657

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D430-0360 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D430-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D430-0360?
Check Price and Availability of D430-0360, 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 D430-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D430-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D430-0360
  • 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 D430-0360 available by request