3510-0016 Screening compound: 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetic acid

3510-0016 Screening compound: 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetic acid
3510-0016 Screening compound: 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3510-0016
2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetic 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

3510-0016

Molecular Formula

C10H7F3N2O2 (C10 H7 F3 N2 O2)

Compound Name

2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetic acid

IUPAC name

2-[2-(trifluoromethyl)-1H-13-benzodiazol-1-yl]acetic acid

SMILES

OC(Cn1c(cccc2)c2nc1C(F)(F)F)=O

InChI

InChI=1S/C10H7F3N2O2/c11-10(12,13)9-14-6-3-1-2-4-7(6)15(9)5-8(16)17/h1-4H,5H2,(H,16,17)

InChI Key

GPOYZFXQCCJBTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00994711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.17

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.303

Distribution Coefficient, logD

-2.853

Water Solubility, LogSw

-1.69

Polar Surface Area

38.822

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3510-0016 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3510-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3510-0016?
Check Price and Availability of 3510-0016, 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 3510-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3510-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3510-0016
  • 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 3510-0016 available by request