D576-0057 Screening compound: 5-chloro-N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methoxybenzamide

D576-0057 Screening compound: 5-chloro-N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methoxybenzamide
D576-0057 Screening compound: 5-chloro-N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D576-0057
5-chloro-N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methoxybenzamide

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

D576-0057

Molecular Formula

C21H22ClN5O2 (C21 H22 ClN5 O2)

Compound Name

5-chloro-N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methoxybenzamide

IUPAC name

5-chloro-N-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-2-methoxybenzamide

SMILES

CCNc1nc(C)cc(Nc(cc2)ccc2NC(c(cc(cc2)Cl)c2OC)=O)n1

InChI

InChI=1S/C21H22ClN5O2/c1-4-23-21-24-13(2)11-19(27-21)25-15-6-8-16(9-7-15)26-20(28)17-12-14(22)5-10-18(17)29-3/h5-12H,4H2,1-3H3,(H,26,28)(H2,23,24,25,27)

InChI Key

CBNJXENAYDCSEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.758

Distribution Coefficient, logD

3.675

Water Solubility, LogSw

-4.79

Polar Surface Area

70.083

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D576-0057 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Arginase Targeted Library (2009 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with D576-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D576-0057?
Check Price and Availability of D576-0057, 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 D576-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D576-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D576-0057
  • 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 D576-0057 available by request