D573-0246 Screening compound: 4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine

D573-0246 Screening compound: 4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
D573-0246 Screening compound: 4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D573-0246
4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine

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

D573-0246

Molecular Formula

C23H31N5O (C23 H31 N5 O)

Compound Name

4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine

IUPAC name

4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine

SMILES

Cc(cc1)ccc1Nc1nc(C)cc(N(CC2)CCN2C(C2CCCCC2)=O)n1

InChI

InChI=1S/C23H31N5O/c1-17-8-10-20(11-9-17)25-23-24-18(2)16-21(26-23)27-12-14-28(15-13-27)22(29)19-6-4-3-5-7-19/h8-11,16,19H,3-7,12-15H2,1-2H3,(H,24,25,26)

InChI Key

UIXHTVVSHVTEPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.283

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.11

Polar Surface Area

48.227

Acid Dissociation Constant (pKa)

18.25

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

D573-0246 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with D573-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D573-0246?
Check Price and Availability of D573-0246, 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 D573-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D573-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D573-0246
  • 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 D573-0246 available by request