8018-1239 Screening compound: methyl 2-chloro-5-[2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]benzoate

8018-1239 Screening compound: methyl 2-chloro-5-[2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]benzoate
8018-1239 Screening compound: methyl 2-chloro-5-[2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1239
methyl 2-chloro-5-[2-(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

8018-1239

Molecular Formula

C18H15ClN2O5 (C18 H15 ClN2 O5)

Compound Name

methyl 2-chloro-5-[2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]benzoate

IUPAC name

methyl 2-chloro-5-[2-(3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamido]benzoate

SMILES

COC(c(cc(cc1)NC(CN2c(cccc3)c3OCC2=O)=O)c1Cl)=O

InChI

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

InChI Key

AKXPLQGNSVTMLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022758

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

2.817

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.59

Polar Surface Area

68.391

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8018-1239 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Endocrine
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8018-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1239?
Check Price and Availability of 8018-1239, 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 8018-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1239
  • 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 8018-1239 available by request