E465-0498 Screening compound: 6-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylsulfonyl)-2-methyl-2H-1,4-benzothiazin-3(4H)-one

E465-0498 Screening compound: 6-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylsulfonyl)-2-methyl-2H-1,4-benzothiazin-3(4H)-one
E465-0498 Screening compound: 6-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylsulfonyl)-2-methyl-2H-1,4-benzothiazin-3(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0498
6-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylsulfonyl)-2-methyl-2H-1,4-benzothiazin-3(4H)-one

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

E465-0498

Molecular Formula

C18H16N4O3S2 (C18 H16 N4 O3 S2)

Compound Name

6-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylsulfonyl)-2-methyl-2H-1,4-benzothiazin-3(4H)-one

IUPAC name

n/a

SMILES

CC1Sc(ccc(S(N2c3nc(cccc4)c4n3CC2)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C18H16N4O3S2/c1-11-17(23)19-14-10-12(6-7-16(14)26-11)27(24,25)22-9-8-21-15-5-3-2-4-13(15)20-18(21)22/h2-7,10-11H,8-9H2,1H3,(H,19,23)/t11-/m1/s1

InChI Key

OHLFPRMJRTUFRM-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14854426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-3.50

Polar Surface Area

66.562

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E465-0498 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E465-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0498?
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What is the minimum amount of E465-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0498
  • 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 E465-0498 available by request