8018-6687 Screening compound: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3-(2-fluorophenyl)propanamide

8018-6687 Screening compound: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3-(2-fluorophenyl)propanamide
8018-6687 Screening compound: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3-(2-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6687
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3-(2-fluorophenyl)propanamide

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

8018-6687

Molecular Formula

C18H18FN3O2 (C18 H18 FN3 O2)

Compound Name

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3-(2-fluorophenyl)propanamide

IUPAC name

N-(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)-3-(2-fluorophenyl)propanamide

SMILES

CN(c(ccc(NC(CCc(cccc1)c1F)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C18H18FN3O2/c1-21-15-9-8-13(11-16(15)22(2)18(21)24)20-17(23)10-7-12-5-3-4-6-14(12)19/h3-6,8-9,11H,7,10H2,1-2H3,(H,20,23)

InChI Key

SQGJRUVSRYAXMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.47

Polar Surface Area

40.801

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8018-6687 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-6687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6687?
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What is the minimum amount of 8018-6687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6687
  • 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 8018-6687 available by request