D573-0241 Screening compound: 1-(4-{6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}piperazin-1-yl)pentan-1-one

D573-0241 Screening compound: 1-(4-{6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}piperazin-1-yl)pentan-1-one
D573-0241 Screening compound: 1-(4-{6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}piperazin-1-yl)pentan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D573-0241
1-(4-{6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}piperazin-1-yl)pentan-1-one

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

D573-0241

Molecular Formula

C21H29N5O (C21 H29 N5 O)

Compound Name

1-(4-{6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}piperazin-1-yl)pentan-1-one

IUPAC name

1-(4-{6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}piperazin-1-yl)pentan-1-one

SMILES

CCCCC(N(CC1)CCN1c1nc(Nc2ccc(C)cc2)nc(C)c1)=O

InChI

InChI=1S/C21H29N5O/c1-4-5-6-20(27)26-13-11-25(12-14-26)19-15-17(3)22-21(24-19)23-18-9-7-16(2)8-10-18/h7-10,15H,4-6,11-14H2,1-3H3,(H,22,23,24)

InChI Key

YVHSJASVEIUCAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.672

Distribution Coefficient, logD

4.611

Water Solubility, LogSw

-4.30

Polar Surface Area

47.779

Acid Dissociation Constant (pKa)

18.25

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

D573-0241 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D573-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D573-0241?
Check Price and Availability of D573-0241, 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 D573-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D573-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D573-0241
  • 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 D573-0241 available by request