D577-0012 Screening compound: 3-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-1-(4-methylphenyl)urea

D577-0012 Screening compound: 3-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-1-(4-methylphenyl)urea
D577-0012 Screening compound: 3-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D577-0012
3-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-1-(4-methylphenyl)urea

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

D577-0012

Molecular Formula

C21H24N6O (C21 H24 N6 O)

Compound Name

3-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-1-(4-methylphenyl)urea

IUPAC name

3-(4-{[2-(ethylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-1-(4-methylphenyl)urea

SMILES

CCNc1nc(C)cc(Nc(cc2)ccc2NC(Nc2ccc(C)cc2)=O)n1

InChI

InChI=1S/C21H24N6O/c1-4-22-20-23-15(3)13-19(27-20)24-16-9-11-18(12-10-16)26-21(28)25-17-7-5-14(2)6-8-17/h5-13H,4H2,1-3H3,(H2,25,26,28)(H2,22,23,24,27)

InChI Key

GGHODSKPTJEZDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22439982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.169

Distribution Coefficient, logD

4.086

Water Solubility, LogSw

-4.95

Polar Surface Area

71.665

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D577-0012 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 D577-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D577-0012?
Check Price and Availability of D577-0012, 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 D577-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D577-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D577-0012
  • 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 D577-0012 available by request