D479-0140 Screening compound: 3-methyl-5-(4-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

D479-0140 Screening compound: 3-methyl-5-(4-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
D479-0140 Screening compound: 3-methyl-5-(4-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D479-0140
3-methyl-5-(4-methylbenzenesulfonyl)-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

D479-0140

Molecular Formula

C17H18N2O3S (C17 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(c(cccc1)c1N1)S(c2ccc(C)cc2)(=O)=O)C1=O

InChI

InChI=1S/C17H18N2O3S/c1-12-7-9-14(10-8-12)23(21,22)19-11-13(2)17(20)18-15-5-3-4-6-16(15)19/h3-10,13H,11H2,1-2H3,(H,18,20)/t13-/m0/s1

InChI Key

ZYFHHLDTUUQIPU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD12961828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.924

Water Solubility, LogSw

-3.49

Polar Surface Area

56.612

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

D479-0140 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D479-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D479-0140?
Check Price and Availability of D479-0140, 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 D479-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D479-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D479-0140
  • 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 D479-0140 available by request