C183-0094 Screening compound: ethyl 4-{3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

C183-0094 Screening compound: ethyl 4-{3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate
C183-0094 Screening compound: ethyl 4-{3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C183-0094
ethyl 4-{3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}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

C183-0094

Molecular Formula

C23H25BrN2O6S (C23 H25 BrN2 O6 S)

Compound Name

ethyl 4-{3-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

IUPAC name

ethyl 4-{3-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzoate

SMILES

CCC(N(CCc1c2)c1cc(S(CCC(Nc(cc1)ccc1C(OCC)=O)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C23H25BrN2O6S/c1-3-22(28)26-11-9-16-13-18(24)20(14-19(16)26)33(30,31)12-10-21(27)25-17-7-5-15(6-8-17)23(29)32-4-2/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,27)

InChI Key

UGUBNDVYTVHKFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-4.00

Polar Surface Area

88.329

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

C183-0094 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR
  • Phosphatases

References: we are preparing a list of scientific research reports with C183-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C183-0094?
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What is the minimum amount of C183-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C183-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C183-0094
  • 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 C183-0094 available by request