1988-0794 Screening compound: butyl 3-{[1,1'-biphenyl]-4-amido}benzoate

1988-0794 Screening compound: butyl 3-{[1,1'-biphenyl]-4-amido}benzoate
1988-0794 Screening compound: butyl 3-{[1,1'-biphenyl]-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0794
butyl 3-{[1,1'-biphenyl]-4-amido}benzoate

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

1988-0794

Molecular Formula

C24H23NO3 (C24 H23 NO3)

Compound Name

butyl 3-{[1,1'-biphenyl]-4-amido}benzoate

IUPAC name

butyl 3-{[11'-biphenyl]-4-amido}benzoate

SMILES

CCCCOC(c1cc(NC(c(cc2)ccc2-c2ccccc2)=O)ccc1)=O

InChI

InChI=1S/C24H23NO3/c1-2-3-16-28-24(27)21-10-7-11-22(17-21)25-23(26)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h4-15,17H,2-3,16H2,1H3,(H,25,26)

InChI Key

LIZGVNJXSDRAPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01181232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.506

Distribution Coefficient, logD

6.506

Water Solubility, LogSw

-5.71

Polar Surface Area

44.106

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1988-0794 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1988-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0794?
Check Price and Availability of 1988-0794, 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 1988-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0794
  • 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 1988-0794 available by request