E769-1282 Screening compound: methyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]thiophene-2-carboxylate

E769-1282 Screening compound: methyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]thiophene-2-carboxylate
E769-1282 Screening compound: methyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E769-1282
methyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]thiophene-2-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

E769-1282

Molecular Formula

C21H19N3O3S2 (C21 H19 N3 O3 S2)

Compound Name

methyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]thiophene-2-carboxylate

IUPAC name

methyl 3-[({[1-methyl-2-(thiophen-2-yl)-1H-indol-3-yl]methyl}carbamoyl)amino]thiophene-2-carboxylate

SMILES

Cn1c(-c2cccs2)c(CNC(Nc2c(C(OC)=O)scc2)=O)c2c1cccc2

InChI

InChI=1S/C21H19N3O3S2/c1-24-16-7-4-3-6-13(16)14(18(24)17-8-5-10-28-17)12-22-21(26)23-15-9-11-29-19(15)20(25)27-2/h3-11H,12H2,1-2H3,(H2,22,23,26)

InChI Key

ALHRFVAOTCIUJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.276

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-4.34

Polar Surface Area

57.416

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E769-1282 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E769-1282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E769-1282?
Check Price and Availability of E769-1282, 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 E769-1282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E769-1282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E769-1282
  • 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 E769-1282 available by request