J021-1859 Screening compound: N-(3-bromophenyl)-3-[3-({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

J021-1859 Screening compound: N-(3-bromophenyl)-3-[3-({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
J021-1859 Screening compound: N-(3-bromophenyl)-3-[3-({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-1859
N-(3-bromophenyl)-3-[3-({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

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

J021-1859

Molecular Formula

C18H14BrN5O4S (C18 H14 BrN5 O4 S)

Compound Name

N-(3-bromophenyl)-3-[3-({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide

IUPAC name

N-(3-bromophenyl)-3-[3-({[5-(furan-2-yl)-134-oxadiazol-2-yl]sulfanyl}methyl)-124-oxadiazol-5-yl]propanamide

SMILES

O=C(CCc1nc(CSc2nnc(-c3ccco3)o2)no1)Nc1cccc(Br)c1

InChI

InChI=1S/C18H14BrN5O4S/c19-11-3-1-4-12(9-11)20-15(25)6-7-16-21-14(24-28-16)10-29-18-23-22-17(27-18)13-5-2-8-26-13/h1-5,8-9H,6-7,10H2,(H,20,25)

InChI Key

SLBGXRKDZQSPQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.36

Polar Surface Area

94.125

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J021-1859 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with J021-1859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-1859?
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What is the minimum amount of J021-1859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-1859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-1859
  • 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 J021-1859 available by request