L828-0805 Screening compound: 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]thiophene-2-sulfonamide

L828-0805 Screening compound: 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]thiophene-2-sulfonamide
L828-0805 Screening compound: 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L828-0805
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]thiophene-2-sulfonamide

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

L828-0805

Molecular Formula

C18H13FN4O3S2 (C18 H13 FN4 O3 S2)

Compound Name

4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]thiophene-2-sulfonamide

IUPAC name

4-[3-(3-fluorophenyl)-124-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]thiophene-2-sulfonamide

SMILES

O=S(c1cc(-c2nc(-c3cc(F)ccc3)no2)cs1)(NCc1cnccc1)=O

InChI

InChI=1S/C18H13FN4O3S2/c19-15-5-1-4-13(7-15)17-22-18(26-23-17)14-8-16(27-11-14)28(24,25)21-10-12-3-2-6-20-9-12/h1-9,11,21H,10H2

InChI Key

XHDFHVQLPRIWML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.529

Distribution Coefficient, logD

3.521

Water Solubility, LogSw

-3.59

Polar Surface Area

83.939

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

L828-0805 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L828-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L828-0805?
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What is the minimum amount of L828-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L828-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L828-0805
  • 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 L828-0805 available by request