D576-0243 Screening compound: 3-methyl-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]butanamide

D576-0243 Screening compound: 3-methyl-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]butanamide
D576-0243 Screening compound: 3-methyl-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D576-0243
3-methyl-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]butanamide

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

D576-0243

Molecular Formula

C23H27N5O (C23 H27 N5 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H27N5O/c1-15(2)13-22(29)26-19-11-9-18(10-12-19)25-21-14-17(4)24-23(28-21)27-20-7-5-16(3)6-8-20/h5-12,14-15H,13H2,1-4H3,(H,26,29)(H2,24,25,27,28)

InChI Key

ICDFLZNTFWLNMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.736

Distribution Coefficient, logD

4.886

Water Solubility, LogSw

-5.34

Polar Surface Area

61.292

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D576-0243 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D576-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D576-0243?
Check Price and Availability of D576-0243, 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 D576-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D576-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D576-0243
  • 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 D576-0243 available by request