8018-3812 Screening compound: N-[4-fluoro-2-(2-phenylacetyl)phenyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

8018-3812 Screening compound: N-[4-fluoro-2-(2-phenylacetyl)phenyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
8018-3812 Screening compound: N-[4-fluoro-2-(2-phenylacetyl)phenyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3812
N-[4-fluoro-2-(2-phenylacetyl)phenyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

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

8018-3812

Molecular Formula

C23H20FN3O4S (C23 H20 FN3 O4 S)

Compound Name

N-[4-fluoro-2-(2-phenylacetyl)phenyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

N-[4-fluoro-2-(2-phenylacetyl)phenyl]-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazole-5-sulfonamide

SMILES

CN(c(ccc(S(Nc(ccc(F)c1)c1C(Cc1ccccc1)=O)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C23H20FN3O4S/c1-26-20-11-9-17(14-21(20)27(2)23(26)29)32(30,31)25-19-10-8-16(24)13-18(19)22(28)12-15-6-4-3-5-7-15/h3-11,13-14,25H,12H2,1-2H3

InChI Key

LWQCERNXSVZDPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.823

Distribution Coefficient, logD

1.374

Water Solubility, LogSw

-4.05

Polar Surface Area

70.850

Acid Dissociation Constant (pKa)

4.95

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8018-3812 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-3812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3812?
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What is the minimum amount of 8018-3812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3812
  • 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 8018-3812 available by request