D576-0324 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-fluorobenzamide

D576-0324 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-fluorobenzamide
D576-0324 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D576-0324
N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-fluorobenzamide

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

D576-0324

Molecular Formula

C24H26FN5O (C24 H26 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(Nc(cc2)ccc2NC(c2cccc(F)c2)=O)nc(NC2CCCCC2)n1

InChI

InChI=1S/C24H26FN5O/c1-16-14-22(30-24(26-16)29-19-8-3-2-4-9-19)27-20-10-12-21(13-11-20)28-23(31)17-6-5-7-18(25)15-17/h5-7,10-15,19H,2-4,8-9H2,1H3,(H,28,31)(H2,26,27,29,30)

InChI Key

FVSHANFTGJHSLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

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

5.693

Distribution Coefficient, logD

5.457

Water Solubility, LogSw

-5.39

Polar Surface Area

62.281

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D576-0324 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D576-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D576-0324?
Check Price and Availability of D576-0324, 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 D576-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D576-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D576-0324
  • 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 D576-0324 available by request