6287-0071 Screening compound: 2-(2-ethyl-1H-1,3-benzodiazole-1-carbonyl)benzoic acid

6287-0071 Screening compound: 2-(2-ethyl-1H-1,3-benzodiazole-1-carbonyl)benzoic acid
6287-0071 Screening compound: 2-(2-ethyl-1H-1,3-benzodiazole-1-carbonyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6287-0071
2-(2-ethyl-1H-1,3-benzodiazole-1-carbonyl)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

6287-0071

Molecular Formula

C17H14N2O3 (C17 H14 N2 O3)

Compound Name

2-(2-ethyl-1H-1,3-benzodiazole-1-carbonyl)benzoic acid

IUPAC name

2-(2-ethyl-1H-13-benzodiazole-1-carbonyl)benzoic acid

SMILES

CCc1nc(cccc2)c2n1C(c(cccc1)c1C(O)=O)=O

InChI

InChI=1S/C17H14N2O3/c1-2-15-18-13-9-5-6-10-14(13)19(15)16(20)11-7-3-4-8-12(11)17(21)22/h3-10H,2H2,1H3,(H,21,22)

InChI Key

UNJURFWKLGOXQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02225666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.604

Distribution Coefficient, logD

-3.177

Water Solubility, LogSw

-2.74

Polar Surface Area

53.491

Acid Dissociation Constant (pKa)

1.62

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

6287-0071 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 6287-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6287-0071?
Check Price and Availability of 6287-0071, 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 6287-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6287-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6287-0071
  • 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 6287-0071 available by request