G008-1450 Screening compound: 7-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylsulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

G008-1450 Screening compound: 7-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylsulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
G008-1450 Screening compound: 7-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylsulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1450
7-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylsulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-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

G008-1450

Molecular Formula

C19H18N4O3S2 (C19 H18 N4 O3 S2)

Compound Name

7-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylsulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

IUPAC name

2-methyl-7-{257-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraene-5-sulfonyl}-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

CC(C1)Sc(ccc(S(N2c3nc(cccc4)c4n3CC2)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C19H18N4O3S2/c1-12-10-18(24)20-15-11-13(6-7-17(15)27-12)28(25,26)23-9-8-22-16-5-3-2-4-14(16)21-19(22)23/h2-7,11-12H,8-10H2,1H3,(H,20,24)/t12-/m1/s1

InChI Key

GBSQECRLWKXZND-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14974710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

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

3.058

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-3.48

Polar Surface Area

66.836

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

G008-1450 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-1450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1450?
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What is the minimum amount of G008-1450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1450
  • 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 G008-1450 available by request