L118-0057 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]benzamide

L118-0057 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]benzamide
L118-0057 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L118-0057
N-(3-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-sulfonyl)thiophen-2-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

L118-0057

Molecular Formula

C21H18ClFN2O3S2 (C21 H18 ClFN2 O3 S2)

Compound Name

N-(3-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]benzamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]benzamide

SMILES

O=C(c(cc1)ccc1-c(s1)ccc1S(N1CCCC1)(=O)=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C21H18ClFN2O3S2/c22-17-13-16(7-8-18(17)23)24-21(26)15-5-3-14(4-6-15)19-9-10-20(29-19)30(27,28)25-11-1-2-12-25/h3-10,13H,1-2,11-12H2,(H,24,26)

InChI Key

AZMRGXUYVUTNEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.170

Distribution Coefficient, logD

4.963

Water Solubility, LogSw

-5.80

Polar Surface Area

56.153

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L118-0057 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with L118-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L118-0057?
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What is the minimum amount of L118-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L118-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L118-0057
  • 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 L118-0057 available by request