L823-0051 Screening compound: ethyl 3-{4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamido}benzoate

L823-0051 Screening compound: ethyl 3-{4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamido}benzoate
L823-0051 Screening compound: ethyl 3-{4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L823-0051
ethyl 3-{4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamido}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

L823-0051

Molecular Formula

C20H20N4O6S2 (C20 H20 N4 O6 S2)

Compound Name

ethyl 3-{4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamido}benzoate

IUPAC name

ethyl 3-{4-[5-(pyrrolidine-1-carbonyl)-124-oxadiazol-3-yl]thiophene-2-sulfonamido}benzoate

SMILES

CCOC(c1cccc(NS(c2cc(-c3noc(C(N4CCCC4)=O)n3)cs2)(=O)=O)c1)=O

InChI

InChI=1S/C20H20N4O6S2/c1-2-29-20(26)13-6-5-7-15(10-13)23-32(27,28)16-11-14(12-31-16)17-21-18(30-22-17)19(25)24-8-3-4-9-24/h5-7,10-12,23H,2-4,8-9H2,1H3

InChI Key

AWUUONCDLYOWAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27477664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.913

Water Solubility, LogSw

-3.85

Polar Surface Area

111.352

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with L823-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L823-0051?
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What is the minimum amount of L823-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L823-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L823-0051
  • 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 L823-0051 available by request