0780-1016 Screening compound: 4-formyl-2-methoxyphenyl 3-methylbenzoate

0780-1016 Screening compound: 4-formyl-2-methoxyphenyl 3-methylbenzoate
0780-1016 Screening compound: 4-formyl-2-methoxyphenyl 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0780-1016
4-formyl-2-methoxyphenyl 3-methylbenzoate

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

0780-1016

Molecular Formula

C16H14O4 (C16 H14 O4)

Compound Name

4-formyl-2-methoxyphenyl 3-methylbenzoate

IUPAC name

4-formyl-2-methoxyphenyl 3-methylbenzoate

SMILES

Cc1cccc(C(Oc(ccc(C=O)c2)c2OC)=O)c1

InChI

InChI=1S/C16H14O4/c1-11-4-3-5-13(8-11)16(18)20-14-7-6-12(10-17)9-15(14)19-2/h3-10H,1-2H3

InChI Key

SDLISEHSQWOELD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00579126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.09

Polar Surface Area

42.493

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0780-1016 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0780-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0780-1016?
Check Price and Availability of 0780-1016, 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 0780-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0780-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0780-1016
  • 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 0780-1016 available by request