D576-0309 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzamide

D576-0309 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzamide
D576-0309 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D576-0309
N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzamide

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

D576-0309

Molecular Formula

C25H29N5O (C25 H29 N5 O)

Compound Name

N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzamide

IUPAC name

N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(cc2)ccc2Nc2nc(NC3CCCCC3)nc(C)c2)=O)c1

InChI

InChI=1S/C25H29N5O/c1-17-7-6-8-19(15-17)24(31)28-22-13-11-21(12-14-22)27-23-16-18(2)26-25(30-23)29-20-9-4-3-5-10-20/h6-8,11-16,20H,3-5,9-10H2,1-2H3,(H,28,31)(H2,26,27,29,30)

InChI Key

INQOPSADAWCMOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

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

5.941

Distribution Coefficient, logD

5.706

Water Solubility, LogSw

-5.40

Polar Surface Area

62.281

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D576-0309 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D576-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D576-0309?
Check Price and Availability of D576-0309, 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 D576-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D576-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D576-0309
  • 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 D576-0309 available by request