7653-3871 Screening compound: (1-methyl-1H-1,3-benzodiazol-2-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate

7653-3871 Screening compound: (1-methyl-1H-1,3-benzodiazol-2-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate
7653-3871 Screening compound: (1-methyl-1H-1,3-benzodiazol-2-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7653-3871
(1-methyl-1H-1,3-benzodiazol-2-yl)methyl 3-chloro-1-benzothiophene-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

7653-3871

Molecular Formula

C18H13ClN2O2S (C18 H13 ClN2 O2 S)

Compound Name

(1-methyl-1H-1,3-benzodiazol-2-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate

IUPAC name

(1-methyl-1H-13-benzodiazol-2-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate

SMILES

Cn1c(cccc2)c2nc1COC(c(sc1c2cccc1)c2Cl)=O

InChI

InChI=1S/C18H13ClN2O2S/c1-21-13-8-4-3-7-12(13)20-15(21)10-23-18(22)17-16(19)11-6-2-5-9-14(11)24-17/h2-9H,10H2,1H3

InChI Key

LMHUDAZUQQPERW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06193807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.658

Distribution Coefficient, logD

4.657

Water Solubility, LogSw

-4.79

Polar Surface Area

33.829

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

7653-3871 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7653-3871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7653-3871?
Check Price and Availability of 7653-3871, 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 7653-3871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7653-3871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7653-3871
  • 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 7653-3871 available by request