3729-3302 Screening compound: methyl 4-(3-methyl-1-benzofuran-2-amido)benzoate

3729-3302 Screening compound: methyl 4-(3-methyl-1-benzofuran-2-amido)benzoate
3729-3302 Screening compound: methyl 4-(3-methyl-1-benzofuran-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-3302
methyl 4-(3-methyl-1-benzofuran-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

3729-3302

Molecular Formula

C18H15NO4 (C18 H15 NO4)

Compound Name

methyl 4-(3-methyl-1-benzofuran-2-amido)benzoate

IUPAC name

methyl 4-(3-methyl-1-benzofuran-2-amido)benzoate

SMILES

Cc1c(C(Nc(cc2)ccc2C(OC)=O)=O)oc2c1cccc2

InChI

InChI=1S/C18H15NO4/c1-11-14-5-3-4-6-15(14)23-16(11)17(20)19-13-9-7-12(8-10-13)18(21)22-2/h3-10H,1-2H3,(H,19,20)

InChI Key

OXBOATHGRASUAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

4.307

Water Solubility, LogSw

-4.38

Polar Surface Area

53.029

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3729-3302 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3729-3302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-3302?
Check Price and Availability of 3729-3302, 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 3729-3302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-3302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-3302
  • 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 3729-3302 available by request