C743-0055 Screening compound: 2-(2-methoxyphenyl)-1-(2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)ethan-1-one

C743-0055 Screening compound: 2-(2-methoxyphenyl)-1-(2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)ethan-1-one
C743-0055 Screening compound: 2-(2-methoxyphenyl)-1-(2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C743-0055
2-(2-methoxyphenyl)-1-(2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)ethan-1-one

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

C743-0055

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

2-(2-methoxyphenyl)-1-(2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-yl)ethan-1-one

IUPAC name

2-(2-methoxyphenyl)-1-(2345-tetrahydro-1H-14-benzodiazepin-4-yl)ethan-1-one

SMILES

COc1c(CC(N2Cc(cccc3)c3NCC2)=O)cccc1

InChI

InChI=1S/C18H20N2O2/c1-22-17-9-5-3-6-14(17)12-18(21)20-11-10-19-16-8-4-2-7-15(16)13-20/h2-9,19H,10-13H2,1H3

InChI Key

JIEUSQZACFFAAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.946

Water Solubility, LogSw

-3.27

Polar Surface Area

35.541

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C743-0055 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C743-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C743-0055?
Check Price and Availability of C743-0055, 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 C743-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C743-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C743-0055
  • 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 C743-0055 available by request