C082-1045 Screening compound: ethyl 3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonamido)benzoate

C082-1045 Screening compound: ethyl 3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonamido)benzoate
C082-1045 Screening compound: ethyl 3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-1045
ethyl 3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonamido)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

C082-1045

Molecular Formula

C19H19BrN2O5S (C19 H19 BrN2 O5 S)

Compound Name

ethyl 3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonamido)benzoate

IUPAC name

ethyl 3-(1-acetyl-5-bromo-23-dihydro-1H-indole-6-sulfonamido)benzoate

SMILES

CCOC(c1cccc(NS(c(cc(c(CC2)c3)N2C(C)=O)c3Br)(=O)=O)c1)=O

InChI

InChI=1S/C19H19BrN2O5S/c1-3-27-19(24)14-5-4-6-15(9-14)21-28(25,26)18-11-17-13(10-16(18)20)7-8-22(17)12(2)23/h4-6,9-11,21H,3,7-8H2,1-2H3

InChI Key

WEWYOCSYWAKGGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.689

Water Solubility, LogSw

-3.89

Polar Surface Area

78.060

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with C082-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-1045?
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What is the minimum amount of C082-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-1045
  • 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 C082-1045 available by request