7465-0281 Screening compound: 3-[(1,3-benzodioxol-5-ylmethyl)amino]benzoic acid

7465-0281 Screening compound: 3-[(1,3-benzodioxol-5-ylmethyl)amino]benzoic acid
7465-0281 Screening compound: 3-[(1,3-benzodioxol-5-ylmethyl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7465-0281
3-[(1,3-benzodioxol-5-ylmethyl)amino]benzoic acid

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

7465-0281

Molecular Formula

C15H13NO4 (C15 H13 NO4)

Compound Name

3-[(1,3-benzodioxol-5-ylmethyl)amino]benzoic acid

IUPAC name

n/a

SMILES

OC(c1cc(NCc(cc2)cc3c2OCO3)ccc1)=O

InChI

InChI=1S/C15H13NO4/c17-15(18)11-2-1-3-12(7-11)16-8-10-4-5-13-14(6-10)20-9-19-13/h1-7,16H,8-9H2,(H,17,18)

InChI Key

CTRIQLUUUXNQKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04598768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.209

Distribution Coefficient, logD

0.327

Water Solubility, LogSw

-3.16

Polar Surface Area

55.997

Acid Dissociation Constant (pKa)

4.52

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

7465-0281 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7465-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7465-0281?
Check Price and Availability of 7465-0281, 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 7465-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7465-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7465-0281
  • 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 7465-0281 available by request