P094-0579 Screening compound: N-(CYCLOHEXYLMETHYL)-1-(PHENYLSULFONYL)-6-INDOLINECARBOXAMIDE

P094-0579 Screening compound: N-(CYCLOHEXYLMETHYL)-1-(PHENYLSULFONYL)-6-INDOLINECARBOXAMIDE
P094-0579 Screening compound: N-(CYCLOHEXYLMETHYL)-1-(PHENYLSULFONYL)-6-INDOLINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P094-0579
N-(CYCLOHEXYLMETHYL)-1-(PHENYLSULFONYL)-6-INDOLINECARBOXAMIDE

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

P094-0579

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

N-(CYCLOHEXYLMETHYL)-1-(PHENYLSULFONYL)-6-INDOLINECARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(c1cc(N(CC2)S(c3ccccc3)(=O)=O)c2cc1)NCC1CCCCC1

InChI

InChI=1S/C22H26N2O3S/c25-22(23-16-17-7-3-1-4-8-17)19-12-11-18-13-14-24(21(18)15-19)28(26,27)20-9-5-2-6-10-20/h2,5-6,9-12,15,17H,1,3-4,7-8,13-14,16H2,(H,23,25)

InChI Key

WPJUIQRNCDABNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.094

Distribution Coefficient, logD

4.094

Water Solubility, LogSw

-4.29

Polar Surface Area

56.362

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P094-0579 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P094-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P094-0579?
Check Price and Availability of P094-0579, 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 P094-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P094-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P094-0579
  • 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 P094-0579 available by request