D640-0086 Screening compound: N-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2-fluorobenzene-1-sulfonamide

D640-0086 Screening compound: N-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2-fluorobenzene-1-sulfonamide
D640-0086 Screening compound: N-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D640-0086
N-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2-fluorobenzene-1-sulfonamide

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

D640-0086

Molecular Formula

C23H26FN5O2S (C23 H26 FN5 O2 S)

Compound Name

N-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2-fluorobenzene-1-sulfonamide

IUPAC name

N-(4-{[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino}phenyl)-2-fluorobenzene-1-sulfonamide

SMILES

Cc1nc(NC2CCCCC2)cc(Nc(cc2)ccc2NS(c(cccc2)c2F)(=O)=O)n1

InChI

InChI=1S/C23H26FN5O2S/c1-16-25-22(27-17-7-3-2-4-8-17)15-23(26-16)28-18-11-13-19(14-12-18)29-32(30,31)21-10-6-5-9-20(21)24/h5-6,9-15,17,29H,2-4,7-8H2,1H3,(H2,25,26,27,28)

InChI Key

UCMDZCWLPHMGEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.147

Distribution Coefficient, logD

4.932

Water Solubility, LogSw

-4.98

Polar Surface Area

79.079

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

D640-0086 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D640-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D640-0086?
Check Price and Availability of D640-0086, 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 D640-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D640-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D640-0086
  • 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 D640-0086 available by request