G008-1858 Screening compound: 7-({3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

G008-1858 Screening compound: 7-({3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
G008-1858 Screening compound: 7-({3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1858
7-({3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-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

G008-1858

Molecular Formula

C21H24FN3O3S2 (C21 H24 FN3 O3 S2)

Compound Name

7-({3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}sulfonyl)-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

7-({3-[(4-fluorophenyl)methyl]-13-diazinan-1-yl}sulfonyl)-3-methyl-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

CC(CSc(ccc(S(N1CN(Cc(cc2)ccc2F)CCC1)(=O)=O)c1)c1N1)C1=O

InChI

InChI=1S/C21H24FN3O3S2/c1-15-13-29-20-8-7-18(11-19(20)23-21(15)26)30(27,28)25-10-2-9-24(14-25)12-16-3-5-17(22)6-4-16/h3-8,11,15H,2,9-10,12-14H2,1H3,(H,23,26)/t15-/m1/s1

InChI Key

GDOSRMOGHIYXOY-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14975012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.379

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.80

Polar Surface Area

61.438

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G008-1858 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-1858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1858?
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What is the minimum amount of G008-1858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1858
  • 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 G008-1858 available by request