D101-0102 Screening compound: 4-bromo-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzene-1-sulfonamide

D101-0102 Screening compound: 4-bromo-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzene-1-sulfonamide
D101-0102 Screening compound: 4-bromo-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0102
4-bromo-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-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

D101-0102

Molecular Formula

C19H20BrN3O3S (C19 H20 BrN3 O3 S)

Compound Name

4-bromo-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

4-bromo-N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)N(Cc1nc(-c2cc(C)ccc2)no1)S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C19H20BrN3O3S/c1-13(2)23(27(24,25)17-9-7-16(20)8-10-17)12-18-21-19(22-26-18)15-6-4-5-14(3)11-15/h4-11,13H,12H2,1-3H3

InChI Key

QHCWSTSNYAXPFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.507

Distribution Coefficient, logD

5.507

Water Solubility, LogSw

-5.55

Polar Surface Area

63.739

Acid Dissociation Constant (pKa)

25.54

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D101-0102 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D101-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0102?
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What is the minimum amount of D101-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0102
  • 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 D101-0102 available by request