D430-0085 Screening compound: 4-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methyl-6-(pyrrolidin-1-yl)pyrimidine

D430-0085 Screening compound: 4-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methyl-6-(pyrrolidin-1-yl)pyrimidine
D430-0085 Screening compound: 4-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methyl-6-(pyrrolidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D430-0085
4-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methyl-6-(pyrrolidin-1-yl)pyrimidine

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

D430-0085

Molecular Formula

C20H24ClN5O (C20 H24 ClN5 O)

Compound Name

4-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methyl-6-(pyrrolidin-1-yl)pyrimidine

IUPAC name

4-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methyl-6-(pyrrolidin-1-yl)pyrimidine

SMILES

Cc1nc(N2CCCC2)cc(N(CC2)CCN2C(c(cccc2)c2Cl)=O)n1

InChI

InChI=1S/C20H24ClN5O/c1-15-22-18(24-8-4-5-9-24)14-19(23-15)25-10-12-26(13-11-25)20(27)16-6-2-3-7-17(16)21/h2-3,6-7,14H,4-5,8-13H2,1H3

InChI Key

KMLQLNFWBWCAPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19029632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.785

Distribution Coefficient, logD

3.761

Water Solubility, LogSw

-4.10

Polar Surface Area

41.076

Acid Dissociation Constant (pKa)

21.94

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

D430-0085 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D430-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D430-0085?
Check Price and Availability of D430-0085, 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 D430-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D430-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D430-0085
  • 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 D430-0085 available by request