7655-0020 Screening compound: 4-methyl-5-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

7655-0020 Screening compound: 4-methyl-5-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
7655-0020 Screening compound: 4-methyl-5-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7655-0020
4-methyl-5-(3-methylbutanoyl)-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

7655-0020

Molecular Formula

C15H20N2O2 (C15 H20 N2 O2)

Compound Name

4-methyl-5-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

IUPAC name

4-methyl-5-(3-methylbutanoyl)-2345-tetrahydro-1H-15-benzodiazepin-2-one

SMILES

CC(C)CC(N(C(C)C1)c(cccc2)c2NC1=O)=O

InChI

InChI=1S/C15H20N2O2/c1-10(2)8-15(19)17-11(3)9-14(18)16-12-6-4-5-7-13(12)17/h4-7,10-11H,8-9H2,1-3H3,(H,16,18)/t11-/m0/s1

InChI Key

KVICQEVRFOWEFR-NSHDSACASA-N

MDL Number (MFCD)

MFCD06177873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.156

Distribution Coefficient, logD

2.112

Water Solubility, LogSw

-2.72

Polar Surface Area

39.466

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

7655-0020 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

KRAS-Targeted Library (16000 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 7655-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7655-0020?
Check Price and Availability of 7655-0020, 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 7655-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7655-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7655-0020
  • 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 7655-0020 available by request