6646-0026 Screening compound: methyl 2-[2-(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamido]benzoate

6646-0026 Screening compound: methyl 2-[2-(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamido]benzoate
6646-0026 Screening compound: methyl 2-[2-(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6646-0026
methyl 2-[2-(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-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

6646-0026

Molecular Formula

C17H13ClN2O5 (C17 H13 ClN2 O5)

Compound Name

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

IUPAC name

methyl 2-[2-(5-chloro-2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamido]benzoate

SMILES

COC(c(cccc1)c1NC(CN(c(cc(cc1)Cl)c1O1)C1=O)=O)=O

InChI

InChI=1S/C17H13ClN2O5/c1-24-16(22)11-4-2-3-5-12(11)19-15(21)9-20-13-8-10(18)6-7-14(13)25-17(20)23/h2-8H,9H2,1H3,(H,19,21)

InChI Key

ULCHIRPDBDSTIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.75

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

2.913

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.65

Polar Surface Area

66.692

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

6646-0026 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 6646-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6646-0026?
Check Price and Availability of 6646-0026, 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 6646-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6646-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6646-0026
  • 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 6646-0026 available by request