G869-0281 Screening compound: 3-cyclohexyl-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}amino)phenyl]propanamide

G869-0281 Screening compound: 3-cyclohexyl-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}amino)phenyl]propanamide
G869-0281 Screening compound: 3-cyclohexyl-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}amino)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G869-0281
3-cyclohexyl-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-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

G869-0281

Molecular Formula

C27H33N5O2 (C27 H33 N5 O2)

Compound Name

3-cyclohexyl-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}amino)phenyl]propanamide

IUPAC name

3-cyclohexyl-N-[4-({4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}amino)phenyl]propanamide

SMILES

Cc1nc(Nc(cc2)ccc2NC(CCC2CCCCC2)=O)nc(Nc(cc2)ccc2OC)c1

InChI

InChI=1S/C27H33N5O2/c1-19-18-25(29-21-13-15-24(34-2)16-14-21)32-27(28-19)31-23-11-9-22(10-12-23)30-26(33)17-8-20-6-4-3-5-7-20/h9-16,18,20H,3-8,17H2,1-2H3,(H,30,33)(H2,28,29,31,32)

InChI Key

AUARBAPVMDOGQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.655

Distribution Coefficient, logD

5.805

Water Solubility, LogSw

-5.61

Polar Surface Area

68.756

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

G869-0281 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with G869-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G869-0281?
Check Price and Availability of G869-0281, 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 G869-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G869-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G869-0281
  • 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 G869-0281 available by request