5042-0827 Screening compound: 7-chloro-2-(4-propoxyphenyl)-4H-3,1-benzoxazin-4-one

5042-0827 Screening compound: 7-chloro-2-(4-propoxyphenyl)-4H-3,1-benzoxazin-4-one
5042-0827 Screening compound: 7-chloro-2-(4-propoxyphenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0827
7-chloro-2-(4-propoxyphenyl)-4H-3,1-benzoxazin-4-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

5042-0827

Molecular Formula

C17H14ClNO3 (C17 H14 ClNO3)

Compound Name

7-chloro-2-(4-propoxyphenyl)-4H-3,1-benzoxazin-4-one

IUPAC name

7-chloro-2-(4-propoxyphenyl)-4H-31-benzoxazin-4-one

SMILES

CCCOc(cc1)ccc1C(O1)=Nc(cc(cc2)Cl)c2C1=O

InChI

InChI=1S/C17H14ClNO3/c1-2-9-21-13-6-3-11(4-7-13)16-19-15-10-12(18)5-8-14(15)17(20)22-16/h3-8,10H,2,9H2,1H3

InChI Key

YBHWORKOVWZERQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02767228

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

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.63

Polar Surface Area

37.603

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

5042-0827 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5042-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0827?
Check Price and Availability of 5042-0827, 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 5042-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0827
  • 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 5042-0827 available by request