D391-0030 Screening compound: 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione

D391-0030 Screening compound: 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione
D391-0030 Screening compound: 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D391-0030
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-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

D391-0030

Molecular Formula

C18H14ClNO5 (C18 H14 ClNO5)

Compound Name

4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione

IUPAC name

4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-2345-tetrahydro-14-benzoxazepine-35-dione

SMILES

COc(ccc(C(CN(C(COc1c2cccc1)=O)C2=O)=O)c1)c1Cl

InChI

InChI=1S/C18H14ClNO5/c1-24-16-7-6-11(8-13(16)19)14(21)9-20-17(22)10-25-15-5-3-2-4-12(15)18(20)23/h2-8H,9-10H2,1H3

InChI Key

QANZMDWKMHFKKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08289395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.046

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-3.19

Polar Surface Area

59.061

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-9.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D391-0030 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D391-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D391-0030?
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What is the minimum amount of D391-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D391-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D391-0030
  • 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 D391-0030 available by request