C105-0455 Screening compound: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-(4-bromophenyl)propanamide

C105-0455 Screening compound: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-(4-bromophenyl)propanamide
C105-0455 Screening compound: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-(4-bromophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-0455
3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-(4-bromophenyl)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

C105-0455

Molecular Formula

C15H12BrN3O4S (C15 H12 BrN3 O4 S)

Compound Name

3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-(4-bromophenyl)propanamide

IUPAC name

3-(213-benzoxadiazole-4-sulfonyl)-N-(4-bromophenyl)propanamide

SMILES

O=C(CCS(c1cccc2nonc12)(=O)=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C15H12BrN3O4S/c16-10-4-6-11(7-5-10)17-14(20)8-9-24(21,22)13-3-1-2-12-15(13)19-23-18-12/h1-7H,8-9H2,(H,17,20)

InChI Key

UIKBJBCURGBPCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.25

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

3.319

Distribution Coefficient, logD

3.318

Water Solubility, LogSw

-3.64

Polar Surface Area

88.242

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

C105-0455 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C105-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-0455?
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What is the minimum amount of C105-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-0455
  • 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 C105-0455 available by request