D242-0081 Screening compound: 4-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(prop-2-en-1-yl)benzene-1-sulfonamide

D242-0081 Screening compound: 4-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(prop-2-en-1-yl)benzene-1-sulfonamide
D242-0081 Screening compound: 4-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(prop-2-en-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D242-0081
4-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(prop-2-en-1-yl)benzene-1-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

D242-0081

Molecular Formula

C18H16BrN3O3S (C18 H16 BrN3 O3 S)

Compound Name

4-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(prop-2-en-1-yl)benzene-1-sulfonamide

IUPAC name

4-bromo-N-[(3-phenyl-124-oxadiazol-5-yl)methyl]-N-(prop-2-en-1-yl)benzene-1-sulfonamide

SMILES

C=CCN(Cc1nc(-c2ccccc2)no1)S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C18H16BrN3O3S/c1-2-12-22(26(23,24)16-10-8-15(19)9-11-16)13-17-20-18(21-25-17)14-6-4-3-5-7-14/h2-11H,1,12-13H2

InChI Key

QTAMHNDJXIQQIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.831

Distribution Coefficient, logD

4.831

Water Solubility, LogSw

-4.89

Polar Surface Area

62.935

Acid Dissociation Constant (pKa)

28.81

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with D242-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D242-0081?
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What is the minimum amount of D242-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D242-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D242-0081
  • 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 D242-0081 available by request