D430-0333 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)cyclohexanecarboxamide

D430-0333 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)cyclohexanecarboxamide
D430-0333 Screening compound: N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D430-0333
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)cyclohexanecarboxamide

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

D430-0333

Molecular Formula

C22H29N5O (C22 H29 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N2CCCC2)cc(Nc(cc2)ccc2NC(C2CCCCC2)=O)n1

InChI

InChI=1S/C22H29N5O/c1-16-23-20(15-21(24-16)27-13-5-6-14-27)25-18-9-11-19(12-10-18)26-22(28)17-7-3-2-4-8-17/h9-12,15,17H,2-8,13-14H2,1H3,(H,26,28)(H,23,24,25)

InChI Key

KKUVFMJLENARPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.51

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

4.712

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-4.36

Polar Surface Area

54.467

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D430-0333 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D430-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D430-0333?
Check Price and Availability of D430-0333, 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 D430-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D430-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D430-0333
  • 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 D430-0333 available by request