8017-7478 Screening compound: 1,3,6-trimethyl-2-oxo-N~5~-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzimidazole-5-sulfonamide

8017-7478 Screening compound: 1,3,6-trimethyl-2-oxo-N~5~-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzimidazole-5-sulfonamide
8017-7478 Screening compound: 1,3,6-trimethyl-2-oxo-N~5~-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzimidazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7478
1,3,6-trimethyl-2-oxo-N~5~-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzimidazole-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

8017-7478

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

1,3,6-trimethyl-2-oxo-N~5~-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzimidazole-5-sulfonamide

IUPAC name

136-trimethyl-2-oxo-N-(2-phenoxyethyl)-23-dihydro-1H-13-benzodiazole-5-sulfonamide

SMILES

Cc(cc(c(N1C)c2)N(C)C1=O)c2S(NCCOc1ccccc1)(=O)=O

InChI

InChI=1S/C18H21N3O4S/c1-13-11-15-16(21(3)18(22)20(15)2)12-17(13)26(23,24)19-9-10-25-14-7-5-4-6-8-14/h4-8,11-12,19H,9-10H2,1-3H3

InChI Key

ODZADMGXWLWKPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

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

2.980

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-3.46

Polar Surface Area

66.941

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

8017-7478 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-7478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7478?
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What is the minimum amount of 8017-7478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7478
  • 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 8017-7478 available by request