C301-8129 Screening compound: 3-bromo-4-methoxy-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide

C301-8129 Screening compound: 3-bromo-4-methoxy-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide
C301-8129 Screening compound: 3-bromo-4-methoxy-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8129
3-bromo-4-methoxy-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide

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

C301-8129

Molecular Formula

C18H17BrN2O3S (C18 H17 BrN2 O3 S)

Compound Name

3-bromo-4-methoxy-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide

IUPAC name

3-bromo-4-methoxy-N-(2-oxo-3-propyl-23-dihydro-13-benzothiazol-6-yl)benzamide

SMILES

CCCN(c(ccc(NC(c(cc1)cc(Br)c1OC)=O)c1)c1S1)C1=O

InChI

InChI=1S/C18H17BrN2O3S/c1-3-8-21-14-6-5-12(10-16(14)25-18(21)23)20-17(22)11-4-7-15(24-2)13(19)9-11/h4-7,9-10H,3,8H2,1-2H3,(H,20,22)

InChI Key

CWARJJCQDDLNSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.808

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-4.55

Polar Surface Area

46.783

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C301-8129 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with C301-8129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8129?
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What is the minimum amount of C301-8129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8129
  • 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 C301-8129 available by request