4004-0180 Screening compound: 2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

4004-0180 Screening compound: 2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid
4004-0180 Screening compound: 2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4004-0180
2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-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

4004-0180

Molecular Formula

C9H7FN4O2 (C9 H7 FN4 O2)

Compound Name

2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

IUPAC name

2-[5-(2-fluorophenyl)-2H-1234-tetrazol-2-yl]acetic acid

SMILES

OC(Cn1nnc(-c(cccc2)c2F)n1)=O

InChI

InChI=1S/C9H7FN4O2/c10-7-4-2-1-3-6(7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16)

InChI Key

LFHIZTMVCWOYBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02636747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.253

Distribution Coefficient, logD

-3.875

Water Solubility, LogSw

-2.19

Polar Surface Area

66.997

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4004-0180 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4004-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4004-0180?
Check Price and Availability of 4004-0180, 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 4004-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4004-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4004-0180
  • 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 4004-0180 available by request