D576-0187 Screening compound: N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)cyclohexanecarboxamide

D576-0187 Screening compound: N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)cyclohexanecarboxamide
D576-0187 Screening compound: N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D576-0187
N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)cyclohexanecarboxamide

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

D576-0187

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)cyclohexanecarboxamide

IUPAC name

N-(4-{[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]amino}phenyl)cyclohexanecarboxamide

SMILES

Cc1cc(Nc(cc2)ccc2NC(C2CCCCC2)=O)nc(N2CCOCC2)n1

InChI

InChI=1S/C22H29N5O2/c1-16-15-20(26-22(23-16)27-11-13-29-14-12-27)24-18-7-9-19(10-8-18)25-21(28)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,25,28)(H,23,24,26)

InChI Key

TUCMSJBKRBSHGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.096

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-4.04

Polar Surface Area

61.667

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D576-0187 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D576-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D576-0187?
Check Price and Availability of D576-0187, 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 D576-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D576-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D576-0187
  • 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 D576-0187 available by request