7445-0078 Screening compound: methyl 2-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]benzoate

7445-0078 Screening compound: methyl 2-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]benzoate
7445-0078 Screening compound: methyl 2-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7445-0078
methyl 2-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]benzoate

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

7445-0078

Molecular Formula

C18H15ClN2O5 (C18 H15 ClN2 O5)

Compound Name

methyl 2-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]benzoate

IUPAC name

methyl 2-[2-(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamido]benzoate

SMILES

COC(c(cccc1)c1NC(CN1c(cc(cc2)Cl)c2OCC1=O)=O)=O

InChI

InChI=1S/C18H15ClN2O5/c1-25-18(24)12-4-2-3-5-13(12)20-16(22)9-21-14-8-11(19)6-7-15(14)26-10-17(21)23/h2-8H,9-10H2,1H3,(H,20,22)

InChI Key

YORUTYJCCJYASJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.468

Distribution Coefficient, logD

2.442

Water Solubility, LogSw

-3.44

Polar Surface Area

67.694

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

7445-0078 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7445-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7445-0078?
Check Price and Availability of 7445-0078, 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 7445-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7445-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7445-0078
  • 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 7445-0078 available by request