C389-0677 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C389-0677 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
C389-0677 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C389-0677
N-[1-(4-butoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-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

C389-0677

Molecular Formula

C23H28N2O3 (C23 H28 N2 O3)

Compound Name

N-[1-(4-butoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

IUPAC name

N-[1-(4-butoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

SMILES

CCCCOc1ccc(C(C)NC(c(cc2)ccc2N(CCC2)C2=O)=O)cc1

InChI

InChI=1S/C23H28N2O3/c1-3-4-16-28-21-13-9-18(10-14-21)17(2)24-23(27)19-7-11-20(12-8-19)25-15-5-6-22(25)26/h7-14,17H,3-6,15-16H2,1-2H3,(H,24,27)/t17-/m0/s1

InChI Key

RPUPJMAUYUDQOI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14755748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.161

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-3.90

Polar Surface Area

48.049

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C389-0677 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C389-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C389-0677?
Check Price and Availability of C389-0677, 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 C389-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C389-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C389-0677
  • 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 C389-0677 available by request