D391-0051 Screening compound: 4-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione

D391-0051 Screening compound: 4-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione
D391-0051 Screening compound: 4-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D391-0051
4-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione

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

D391-0051

Molecular Formula

C18H14ClNO4 (C18 H14 ClNO4)

Compound Name

4-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione

IUPAC name

4-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-2345-tetrahydro-14-benzoxazepine-35-dione

SMILES

CC(C(N1CC(c(cc2)ccc2Cl)=O)=O)Oc(cccc2)c2C1=O

InChI

InChI=1S/C18H14ClNO4/c1-11-17(22)20(10-15(21)12-6-8-13(19)9-7-12)18(23)14-4-2-3-5-16(14)24-11/h2-9,11H,10H2,1H3/t11-/m0/s1

InChI Key

UAIUVRZCQXCILL-NSHDSACASA-N

MDL Number (MFCD)

MFCD08287386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.58

Polar Surface Area

50.434

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

-9.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D391-0051 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D391-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D391-0051?
Check Price and Availability of D391-0051, 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 D391-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D391-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D391-0051
  • 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 D391-0051 available by request