8017-3379 Screening compound: 3-{[2-(4-fluoroanilino)acetyl]amino}-2-hydroxybenzoic acid

8017-3379 Screening compound: 3-{[2-(4-fluoroanilino)acetyl]amino}-2-hydroxybenzoic acid
8017-3379 Screening compound: 3-{[2-(4-fluoroanilino)acetyl]amino}-2-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3379
3-{[2-(4-fluoroanilino)acetyl]amino}-2-hydroxybenzoic 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

8017-3379

Molecular Formula

C15H13FN2O4 (C15 H13 FN2 O4)

Compound Name

3-{[2-(4-fluoroanilino)acetyl]amino}-2-hydroxybenzoic acid

IUPAC name

3-{2-[(4-fluorophenyl)amino]acetamido}-2-hydroxybenzoic acid

SMILES

OC(c1cccc(NC(CNc(cc2)ccc2F)=O)c1O)=O

InChI

InChI=1S/C15H13FN2O4/c16-9-4-6-10(7-5-9)17-8-13(19)18-12-3-1-2-11(14(12)20)15(21)22/h1-7,17,20H,8H2,(H,18,19)(H,21,22)

InChI Key

CAJOMVRJOZTCSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

-0.840

Water Solubility, LogSw

-3.11

Polar Surface Area

76.812

Acid Dissociation Constant (pKa)

3.88

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

8017-3379 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-3379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3379?
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What is the minimum amount of 8017-3379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3379
  • 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 8017-3379 available by request