C797-0171 Screening compound: methyl 2-[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate

C797-0171 Screening compound: methyl 2-[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate
C797-0171 Screening compound: methyl 2-[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0171
methyl 2-[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate

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

C797-0171

Molecular Formula

C23H24BrN3O4S (C23 H24 BrN3 O4 S)

Compound Name

methyl 2-[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-amido]benzoate

IUPAC name

methyl 2-[1-(5-bromo-6-ethoxy-13-benzothiazol-2-yl)piperidine-4-amido]benzoate

SMILES

CCOc(cc1sc(N(CC2)CCC2C(Nc(cccc2)c2C(OC)=O)=O)nc1c1)c1Br

InChI

InChI=1S/C23H24BrN3O4S/c1-3-31-19-13-20-18(12-16(19)24)26-23(32-20)27-10-8-14(9-11-27)21(28)25-17-7-5-4-6-15(17)22(29)30-2/h4-7,12-14H,3,8-11H2,1-2H3,(H,25,28)

InChI Key

FVIGXMPHSZXFJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

5.071

Water Solubility, LogSw

-4.89

Polar Surface Area

64.004

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C797-0171 in Drug Discovery

Included in Screening Libraries

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 C797-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0171?
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What is the minimum amount of C797-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0171
  • 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 C797-0171 available by request