0910-0103 Screening compound: 7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

0910-0103 Screening compound: 7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
0910-0103 Screening compound: 7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0910-0103
7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-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

0910-0103

Molecular Formula

C16H16N2O (C16 H16 N2 O)

Compound Name

7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-methyl-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

Cc(cc1)cc(C(c2ccccc2)NC2)c1NC2=O

InChI

InChI=1S/C16H16N2O/c1-11-7-8-14-13(9-11)16(17-10-15(19)18-14)12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3,(H,18,19)/t16-/m1/s1

InChI Key

LAMDOHSZMCNSRL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01004626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.012

Distribution Coefficient, logD

1.936

Water Solubility, LogSw

-2.68

Polar Surface Area

37.320

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.75

0910-0103 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0910-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0910-0103?
Check Price and Availability of 0910-0103, 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 0910-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0910-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0910-0103
  • 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 0910-0103 available by request