L027-0079 Screening compound: N-(butan-2-yl)-1-[3-(3,4-dichlorobenzenesulfonamido)benzoyl]pyrrolidine-2-carboxamide

L027-0079 Screening compound: N-(butan-2-yl)-1-[3-(3,4-dichlorobenzenesulfonamido)benzoyl]pyrrolidine-2-carboxamide
L027-0079 Screening compound: N-(butan-2-yl)-1-[3-(3,4-dichlorobenzenesulfonamido)benzoyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L027-0079
N-(butan-2-yl)-1-[3-(3,4-dichlorobenzenesulfonamido)benzoyl]pyrrolidine-2-carboxamide

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

L027-0079

Molecular Formula

C22H25Cl2N3O4S (C22 H25 Cl2 N3 O4 S)

Compound Name

N-(butan-2-yl)-1-[3-(3,4-dichlorobenzenesulfonamido)benzoyl]pyrrolidine-2-carboxamide

IUPAC name

N-(butan-2-yl)-1-[3-(34-dichlorobenzenesulfonamido)benzoyl]pyrrolidine-2-carboxamide

SMILES

CCC(C)NC(C(CCC1)N1C(c1cccc(NS(c(cc2)cc(Cl)c2Cl)(=O)=O)c1)=O)=O

InChI

InChI=1S/C22H25Cl2N3O4S/c1-3-14(2)25-21(28)20-8-5-11-27(20)22(29)15-6-4-7-16(12-15)26-32(30,31)17-9-10-18(23)19(24)13-17/h4,6-7,9-10,12-14,20,26H,3,5,8,11H2,1-2H3,(H,25,28)

InChI Key

NJCLAMITUATDLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

4.098

Water Solubility, LogSw

-4.41

Polar Surface Area

81.723

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

L027-0079 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L027-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L027-0079?
Check Price and Availability of L027-0079, 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 L027-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L027-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L027-0079
  • 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 L027-0079 available by request