4904-0879 Screening compound: methyl 1-(3-bromobenzoyl)-1H-indole-3-carboxylate

4904-0879 Screening compound: methyl 1-(3-bromobenzoyl)-1H-indole-3-carboxylate
4904-0879 Screening compound: methyl 1-(3-bromobenzoyl)-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4904-0879
methyl 1-(3-bromobenzoyl)-1H-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

4904-0879

Molecular Formula

C17H12BrNO3 (C17 H12 BrNO3)

Compound Name

methyl 1-(3-bromobenzoyl)-1H-indole-3-carboxylate

IUPAC name

methyl 1-(3-bromobenzoyl)-1H-indole-3-carboxylate

SMILES

COC(c1cn(C(c2cccc(Br)c2)=O)c2c1cccc2)=O

InChI

InChI=1S/C17H12BrNO3/c1-22-17(21)14-10-19(15-8-3-2-7-13(14)15)16(20)11-5-4-6-12(18)9-11/h2-10H,1H3

InChI Key

OWKMASQMTQBYDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02916758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.033

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.16

Polar Surface Area

36.799

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4904-0879 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4904-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4904-0879?
Check Price and Availability of 4904-0879, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4904-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4904-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4904-0879
  • 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 4904-0879 available by request