1682-4338 Screening compound: methyl 3-(2-oxo-2H-chromene-3-amido)benzoate

1682-4338 Screening compound: methyl 3-(2-oxo-2H-chromene-3-amido)benzoate
1682-4338 Screening compound: methyl 3-(2-oxo-2H-chromene-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-4338
methyl 3-(2-oxo-2H-chromene-3-amido)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

1682-4338

Molecular Formula

C18H13NO5 (C18 H13 NO5)

Compound Name

methyl 3-(2-oxo-2H-chromene-3-amido)benzoate

IUPAC name

methyl 3-(2-oxo-2H-chromene-3-amido)benzoate

SMILES

COC(c1cccc(NC(C2=Cc(cccc3)c3OC2=O)=O)c1)=O

InChI

InChI=1S/C18H13NO5/c1-23-17(21)12-6-4-7-13(9-12)19-16(20)14-10-11-5-2-3-8-15(11)24-18(14)22/h2-10H,1H3,(H,19,20)

InChI Key

SOUSDHKZTMCUMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00588097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.59

Polar Surface Area

65.425

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

1682-4338 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 1682-4338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-4338?
Check Price and Availability of 1682-4338, 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 1682-4338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-4338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-4338
  • 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 1682-4338 available by request