8010-2996 Screening compound: 3-methyl-5-propanoyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

8010-2996 Screening compound: 3-methyl-5-propanoyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
8010-2996 Screening compound: 3-methyl-5-propanoyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2996
3-methyl-5-propanoyl-2,3,4,5-tetrahydro-1H-1,5-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

8010-2996

Molecular Formula

C13H16N2O2 (C13 H16 N2 O2)

Compound Name

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

IUPAC name

3-methyl-5-propanoyl-2345-tetrahydro-1H-15-benzodiazepin-2-one

SMILES

CCC(N(CC1C)c(cccc2)c2NC1=O)=O

InChI

InChI=1S/C13H16N2O2/c1-3-12(16)15-8-9(2)13(17)14-10-6-4-5-7-11(10)15/h4-7,9H,3,8H2,1-2H3,(H,14,17)/t9-/m0/s1

InChI Key

UNCFPZOPFPIYJP-VIFPVBQESA-N

MDL Number (MFCD)

MFCD01099173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.721

Distribution Coefficient, logD

1.669

Water Solubility, LogSw

-2.17

Polar Surface Area

40.517

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8010-2996 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-2996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2996?
Check Price and Availability of 8010-2996, 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 8010-2996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2996
  • 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 8010-2996 available by request