1682-3614 Screening compound: methyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

1682-3614 Screening compound: methyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate
1682-3614 Screening compound: methyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-3614
methyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

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

1682-3614

Molecular Formula

C19H17BrN2O3 (C19 H17 BrN2 O3)

Compound Name

methyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

methyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

SMILES

COC(C(Cc1c[nH]c2c1cccc2)NC(c(cccc1)c1Br)=O)=O

InChI

InChI=1S/C19H17BrN2O3/c1-25-19(24)17(22-18(23)14-7-2-4-8-15(14)20)10-12-11-21-16-9-5-3-6-13(12)16/h2-9,11,17,21H,10H2,1H3,(H,22,23)/t17-/m0/s1

InChI Key

DTWLLLDRLDKDFY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00226090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.426

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-3.70

Polar Surface Area

55.327

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

1682-3614 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

PLpro Library (6343 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Eye
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1682-3614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-3614?
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What is the minimum amount of 1682-3614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-3614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-3614
  • 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 1682-3614 available by request