3772-9705 Screening compound: ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-1H-indole-3-carboxylate

3772-9705 Screening compound: ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-1H-indole-3-carboxylate
3772-9705 Screening compound: ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-9705
ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-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

3772-9705

Molecular Formula

C16H18BrN3O4S (C16 H18 BrN3 O4 S)

Compound Name

ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-1H-indole-3-carboxylate

IUPAC name

ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2)c(CSC(N)=N)n(C)c1cc(Br)c2OC(C)=O)=O

InChI

InChI=1S/C16H18BrN3O4S/c1-4-23-15(22)14-9-5-13(24-8(2)21)10(17)6-11(9)20(3)12(14)7-25-16(18)19/h5-6H,4,7H2,1-3H3,(H3,18,19)

InChI Key

WVVNFQKEGWCRFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01852633

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

428.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.165

Distribution Coefficient, logD

-0.530

Water Solubility, LogSw

-2.56

Polar Surface Area

83.393

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

3772-9705 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
  • Ion Channels
Mechanism of action:
  • Epigenetic
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3772-9705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-9705?
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What is the minimum amount of 3772-9705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-9705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-9705
  • 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 3772-9705 available by request