C782-1631 Screening compound: N-[(3-bromophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C782-1631 Screening compound: N-[(3-bromophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
C782-1631 Screening compound: N-[(3-bromophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-1631
N-[(3-bromophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

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

C782-1631

Molecular Formula

C22H24BrN3OS (C22 H24 BrN3 OS)

Compound Name

N-[(3-bromophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

IUPAC name

N-[(3-bromophenyl)methyl]-1-(46-dimethyl-13-benzothiazol-2-yl)piperidine-3-carboxamide

SMILES

Cc(cc1C)cc2c1nc(N(CCC1)CC1C(NCc1cccc(Br)c1)=O)s2

InChI

InChI=1S/C22H24BrN3OS/c1-14-9-15(2)20-19(10-14)28-22(25-20)26-8-4-6-17(13-26)21(27)24-12-16-5-3-7-18(23)11-16/h3,5,7,9-11,17H,4,6,8,12-13H2,1-2H3,(H,24,27)/t17-/m0/s1

InChI Key

HCFGYBPUMZANID-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14794204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.447

Distribution Coefficient, logD

5.447

Water Solubility, LogSw

-5.27

Polar Surface Area

38.343

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C782-1631 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

MCL1 Targeted Library (12200 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C782-1631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-1631?
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What is the minimum amount of C782-1631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-1631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-1631
  • 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 C782-1631 available by request