2729-0631 Screening compound: ethyl 5-(2-bromobenzoyloxy)-1,2-dimethyl-1H-benzo[g]indole-3-carboxylate

2729-0631 Screening compound: ethyl 5-(2-bromobenzoyloxy)-1,2-dimethyl-1H-benzo[g]indole-3-carboxylate
2729-0631 Screening compound: ethyl 5-(2-bromobenzoyloxy)-1,2-dimethyl-1H-benzo[g]indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0631
ethyl 5-(2-bromobenzoyloxy)-1,2-dimethyl-1H-benzo[g]indole-3-carboxylate

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

2729-0631

Molecular Formula

C24H20BrNO4 (C24 H20 BrNO4)

Compound Name

ethyl 5-(2-bromobenzoyloxy)-1,2-dimethyl-1H-benzo[g]indole-3-carboxylate

IUPAC name

ethyl 5-(2-bromobenzoyloxy)-12-dimethyl-1H-benzo[g]indole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(c2ccccc22)c1cc2OC(c(cccc1)c1Br)=O)=O

InChI

InChI=1S/C24H20BrNO4/c1-4-29-24(28)21-14(2)26(3)22-16-10-6-5-9-15(16)20(13-18(21)22)30-23(27)17-11-7-8-12-19(17)25/h5-13H,4H2,1-3H3

InChI Key

JARRXTPJTWYTBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01646560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.334

Distribution Coefficient, logD

5.334

Water Solubility, LogSw

-5.61

Polar Surface Area

43.243

Acid Dissociation Constant (pKa)

29.95

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2729-0631 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2729-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0631?
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What is the minimum amount of 2729-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0631
  • 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 2729-0631 available by request