8018-6513 Screening compound: 4-(5-fluoro-1H-1,3-benzodiazol-2-yl)butanoic acid

8018-6513 Screening compound: 4-(5-fluoro-1H-1,3-benzodiazol-2-yl)butanoic acid
8018-6513 Screening compound: 4-(5-fluoro-1H-1,3-benzodiazol-2-yl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6513
4-(5-fluoro-1H-1,3-benzodiazol-2-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

8018-6513

Molecular Formula

C11H11FN2O2 (C11 H11 FN2 O2)

Compound Name

4-(5-fluoro-1H-1,3-benzodiazol-2-yl)butanoic acid

IUPAC name

4-(5-fluoro-1H-13-benzodiazol-2-yl)butanoic acid

SMILES

OC(CCCc1nc(cc(cc2)F)c2[nH]1)=O

InChI

InChI=1S/C11H11FN2O2/c12-7-4-5-8-9(6-7)14-10(13-8)2-1-3-11(15)16/h4-6H,1-3H2,(H,13,14)(H,15,16)

InChI Key

DNPLWCZFIHGTJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07186408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.603

Distribution Coefficient, logD

-1.171

Water Solubility, LogSw

-1.91

Polar Surface Area

48.904

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8018-6513 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS Targets (44014 compounds)

STING Agonist Library (5895 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-6513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6513?
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What is the minimum amount of 8018-6513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6513
  • 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 8018-6513 available by request