D576-0240 Screening compound: 2-methyl-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]propanamide

D576-0240 Screening compound: 2-methyl-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]propanamide
D576-0240 Screening compound: 2-methyl-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D576-0240
2-methyl-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]propanamide

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

D576-0240

Molecular Formula

C22H25N5O (C22 H25 N5 O)

Compound Name

2-methyl-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]propanamide

IUPAC name

2-methyl-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]propanamide

SMILES

CC(C)C(Nc(cc1)ccc1Nc1nc(Nc2ccc(C)cc2)nc(C)c1)=O

InChI

InChI=1S/C22H25N5O/c1-14(2)21(28)25-18-11-9-17(10-12-18)24-20-13-16(4)23-22(27-20)26-19-7-5-15(3)6-8-19/h5-14H,1-4H3,(H,25,28)(H2,23,24,26,27)

InChI Key

JIDIJVYMQDGEQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-5.13

Polar Surface Area

61.505

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D576-0240 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D576-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D576-0240?
Check Price and Availability of D576-0240, 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 D576-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D576-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D576-0240
  • 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 D576-0240 available by request