J029-1234 Screening compound: methyl 2-[1-(4-chlorophenyl)cyclopentaneamido]benzoate

J029-1234 Screening compound: methyl 2-[1-(4-chlorophenyl)cyclopentaneamido]benzoate
J029-1234 Screening compound: methyl 2-[1-(4-chlorophenyl)cyclopentaneamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J029-1234
methyl 2-[1-(4-chlorophenyl)cyclopentaneamido]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

J029-1234

Molecular Formula

C20H20ClNO3 (C20 H20 ClNO3)

Compound Name

methyl 2-[1-(4-chlorophenyl)cyclopentaneamido]benzoate

IUPAC name

methyl 2-[1-(4-chlorophenyl)cyclopentaneamido]benzoate

SMILES

COC(c(cccc1)c1NC(C1(CCCC1)c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C20H20ClNO3/c1-25-18(23)16-6-2-3-7-17(16)22-19(24)20(12-4-5-13-20)14-8-10-15(21)11-9-14/h2-3,6-11H,4-5,12-13H2,1H3,(H,22,24)

InChI Key

DCQIPJBZIPVFBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12130049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.863

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.92

Polar Surface Area

44.092

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

J029-1234 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with J029-1234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J029-1234?
Check Price and Availability of J029-1234, 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 J029-1234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J029-1234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J029-1234
  • 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 J029-1234 available by request