D098-0109 Screening compound: N-[6-(dimethylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-fluorobenzamide

D098-0109 Screening compound: N-[6-(dimethylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-fluorobenzamide
D098-0109 Screening compound: N-[6-(dimethylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D098-0109
N-[6-(dimethylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-fluorobenzamide

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

D098-0109

Molecular Formula

C18H19FN4O2 (C18 H19 FN4 O2)

Compound Name

N-[6-(dimethylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-4-fluorobenzamide

IUPAC name

N-[6-(dimethylamino)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-4-fluorobenzamide

SMILES

CN(C)c(cc(c(N1C)c2)N(C)C1=O)c2NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C18H19FN4O2/c1-21(2)14-10-16-15(22(3)18(25)23(16)4)9-13(14)20-17(24)11-5-7-12(19)8-6-11/h5-10H,1-4H3,(H,20,24)

InChI Key

WWWJNTZPXCPXAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.110

Distribution Coefficient, logD

1.972

Water Solubility, LogSw

-3.51

Polar Surface Area

42.820

Acid Dissociation Constant (pKa)

6.29

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D098-0109 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D098-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D098-0109?
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What is the minimum amount of D098-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D098-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D098-0109
  • 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 D098-0109 available by request