4582-0290 Screening compound: 6-chloro-3-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione

4582-0290 Screening compound: 6-chloro-3-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione
4582-0290 Screening compound: 6-chloro-3-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0290
6-chloro-3-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,3-benzoxazine-2,4-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

4582-0290

Molecular Formula

C17H14ClNO3 (C17 H14 ClNO3)

Compound Name

6-chloro-3-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione

IUPAC name

6-chloro-3-[4-(propan-2-yl)phenyl]-34-dihydro-2H-13-benzoxazine-24-dione

SMILES

CC(C)c(cc1)ccc1N(C(c(cc(cc1)Cl)c1O1)=O)C1=O

InChI

InChI=1S/C17H14ClNO3/c1-10(2)11-3-6-13(7-4-11)19-16(20)14-9-12(18)5-8-15(14)22-17(19)21/h3-10H,1-2H3

InChI Key

BFWVUMCINAATSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03009976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.80

Polar Surface Area

35.874

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4582-0290 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4582-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0290?
Check Price and Availability of 4582-0290, 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 4582-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0290
  • 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 4582-0290 available by request