0591-5187 Screening compound: 4-(4-propylcyclohexyl)-N-{6-[4-(4-propylcyclohexyl)benzamido]pyridin-2-yl}benzamide

0591-5187 Screening compound: 4-(4-propylcyclohexyl)-N-{6-[4-(4-propylcyclohexyl)benzamido]pyridin-2-yl}benzamide
0591-5187 Screening compound: 4-(4-propylcyclohexyl)-N-{6-[4-(4-propylcyclohexyl)benzamido]pyridin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5187
4-(4-propylcyclohexyl)-N-{6-[4-(4-propylcyclohexyl)benzamido]pyridin-2-yl}benzamide

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

0591-5187

Molecular Formula

C37H47N3O2 (C37 H47 N3 O2)

Compound Name

4-(4-propylcyclohexyl)-N-{6-[4-(4-propylcyclohexyl)benzamido]pyridin-2-yl}benzamide

IUPAC name

4-(4-propylcyclohexyl)-N-{6-[4-(4-propylcyclohexyl)benzamido]pyridin-2-yl}benzamide

SMILES

CCCC(CC1)CCC1c(cc1)ccc1C(Nc1cccc(NC(c2ccc(C3CCC(CCC)CC3)cc2)=O)n1)=O

InChI

InChI=1S/C37H47N3O2/c1-3-6-26-10-14-28(15-11-26)30-18-22-32(23-19-30)36(41)39-34-8-5-9-35(38-34)40-37(42)33-24-20-31(21-25-33)29-16-12-27(7-4-2)13-17-29/h5,8-9,18-29H,3-4,6-7,10-17H2,1-2H3,(H2,38,39,40,41,42)

InChI Key

IVXXXDYSVKANPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

11.660

Distribution Coefficient, logD

11.653

Water Solubility, LogSw

-5.90

Polar Surface Area

56.012

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.60

0591-5187 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0591-5187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5187?
Check Price and Availability of 0591-5187, 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 0591-5187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5187
  • 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 0591-5187 available by request