D428-0162 Screening compound: 1-[(2,6-dichlorophenyl)methyl]-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

D428-0162 Screening compound: 1-[(2,6-dichlorophenyl)methyl]-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
D428-0162 Screening compound: 1-[(2,6-dichlorophenyl)methyl]-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D428-0162
1-[(2,6-dichlorophenyl)methyl]-3-methyl-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

D428-0162

Molecular Formula

C17H16Cl2N2O (C17 H16 Cl2 N2 O)

Compound Name

1-[(2,6-dichlorophenyl)methyl]-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

IUPAC name

1-[(26-dichlorophenyl)methyl]-3-methyl-2345-tetrahydro-1H-15-benzodiazepin-2-one

SMILES

CC(CNc(cccc1)c1N1Cc(c(Cl)ccc2)c2Cl)C1=O

InChI

InChI=1S/C17H16Cl2N2O/c1-11-9-20-15-7-2-3-8-16(15)21(17(11)22)10-12-13(18)5-4-6-14(12)19/h2-8,11,20H,9-10H2,1H3/t11-/m0/s1

InChI Key

OMRUPCSNIIFGLJ-NSHDSACASA-N

MDL Number (MFCD)

MFCD12961851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.204

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.28

Polar Surface Area

27.162

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

D428-0162 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Anti-HIV1 Library (19540 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D428-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D428-0162?
Check Price and Availability of D428-0162, 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 D428-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D428-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D428-0162
  • 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 D428-0162 available by request