8018-7466 Screening compound: 4-{4-[2-(2,3,5,6-tetrafluorophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid

8018-7466 Screening compound: 4-{4-[2-(2,3,5,6-tetrafluorophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid
8018-7466 Screening compound: 4-{4-[2-(2,3,5,6-tetrafluorophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7466
4-{4-[2-(2,3,5,6-tetrafluorophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic 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

8018-7466

Molecular Formula

C15H13F4N3O4 (C15 H13 F4 N3 O4)

Compound Name

4-{4-[2-(2,3,5,6-tetrafluorophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid

IUPAC name

4-{4-[2-(2356-tetrafluorophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid

SMILES

OC(CCCn1ncc(NC(COc(c(F)c(cc2F)F)c2F)=O)c1)=O

InChI

InChI=1S/C15H13F4N3O4/c16-9-4-10(17)14(19)15(13(9)18)26-7-11(23)21-8-5-20-22(6-8)3-1-2-12(24)25/h4-6H,1-3,7H2,(H,21,23)(H,24,25)

InChI Key

ZBDOUGGRIZLORO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.190

Distribution Coefficient, logD

-1.530

Water Solubility, LogSw

-2.08

Polar Surface Area

73.928

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8018-7466 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-7466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7466?
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What is the minimum amount of 8018-7466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7466
  • 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 8018-7466 available by request