C207-0012 Screening compound: ethyl 3-[3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]benzoate

C207-0012 Screening compound: ethyl 3-[3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]benzoate
C207-0012 Screening compound: ethyl 3-[3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C207-0012
ethyl 3-[3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]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

C207-0012

Molecular Formula

C19H18N2O5 (C19 H18 N2 O5)

Compound Name

ethyl 3-[3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]benzoate

IUPAC name

ethyl 3-[3-(2-oxo-23-dihydro-13-benzoxazol-3-yl)propanamido]benzoate

SMILES

CCOC(c1cccc(NC(CCN(c(cccc2)c2O2)C2=O)=O)c1)=O

InChI

InChI=1S/C19H18N2O5/c1-2-25-18(23)13-6-5-7-14(12-13)20-17(22)10-11-21-15-8-3-4-9-16(15)26-19(21)24/h3-9,12H,2,10-11H2,1H3,(H,20,22)

InChI Key

MNQDKJIAFPWEQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.81

Polar Surface Area

66.948

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C207-0012 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C207-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C207-0012?
Check Price and Availability of C207-0012, 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 C207-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C207-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C207-0012
  • 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 C207-0012 available by request