D103-0114 Screening compound: methyl 2-(7-methyl-4-oxo-4H-chromene-2-amido)benzoate

D103-0114 Screening compound: methyl 2-(7-methyl-4-oxo-4H-chromene-2-amido)benzoate
D103-0114 Screening compound: methyl 2-(7-methyl-4-oxo-4H-chromene-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-0114
methyl 2-(7-methyl-4-oxo-4H-chromene-2-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

D103-0114

Molecular Formula

C19H15NO5 (C19 H15 NO5)

Compound Name

methyl 2-(7-methyl-4-oxo-4H-chromene-2-amido)benzoate

IUPAC name

methyl 2-(7-methyl-4-oxo-4H-chromene-2-amido)benzoate

SMILES

Cc(cc1)cc(OC(C(Nc(cccc2)c2C(OC)=O)=O)=C2)c1C2=O

InChI

InChI=1S/C19H15NO5/c1-11-7-8-13-15(21)10-17(25-16(13)9-11)18(22)20-14-6-4-3-5-12(14)19(23)24-2/h3-10H,1-2H3,(H,20,22)

InChI Key

GHFUXPKHNZRQHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.33

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

3.643

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-3.99

Polar Surface Area

65.624

Acid Dissociation Constant (pKa)

6.97

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D103-0114 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D103-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-0114?
Check Price and Availability of D103-0114, 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 D103-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-0114
  • 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 D103-0114 available by request