C737-0406 Screening compound: N-cyclooctyl-3-phenyl-2-(1H-pyrrol-1-yl)propanamide

C737-0406 Screening compound: N-cyclooctyl-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
C737-0406 Screening compound: N-cyclooctyl-3-phenyl-2-(1H-pyrrol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C737-0406
N-cyclooctyl-3-phenyl-2-(1H-pyrrol-1-yl)propanamide

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

C737-0406

Molecular Formula

C21H28N2O (C21 H28 N2 O)

Compound Name

N-cyclooctyl-3-phenyl-2-(1H-pyrrol-1-yl)propanamide

IUPAC name

N-cyclooctyl-3-phenyl-2-(1H-pyrrol-1-yl)propanamide

SMILES

O=C(C(Cc1ccccc1)n1cccc1)NC1CCCCCCC1

InChI

InChI=1S/C21H28N2O/c24-21(22-19-13-7-2-1-3-8-14-19)20(23-15-9-10-16-23)17-18-11-5-4-6-12-18/h4-6,9-12,15-16,19-20H,1-3,7-8,13-14,17H2,(H,22,24)/t20-/m0/s1

InChI Key

FJRYVUUWISVTQI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14790157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.341

Distribution Coefficient, logD

5.341

Water Solubility, LogSw

-5.44

Polar Surface Area

28.231

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

C737-0406 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C737-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C737-0406?
Check Price and Availability of C737-0406, 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 C737-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C737-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C737-0406
  • 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 C737-0406 available by request