G786-1897 Screening compound: 6-chloro-7'-hydroxy-8'-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H,2'H-[3,4'-bichromene]-2,2'-dione

G786-1897 Screening compound: 6-chloro-7'-hydroxy-8'-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H,2'H-[3,4'-bichromene]-2,2'-dione
G786-1897 Screening compound: 6-chloro-7'-hydroxy-8'-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H,2'H-[3,4'-bichromene]-2,2'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1897
6-chloro-7'-hydroxy-8'-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H,2'H-[3,4'-bichromene]-2,2'-dione

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

G786-1897

Molecular Formula

C25H23ClN2O6 (C25 H23 ClN2 O6)

Compound Name

6-chloro-7'-hydroxy-8'-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H,2'H-[3,4'-bichromene]-2,2'-dione

IUPAC name

6-chloro-7'-hydroxy-8'-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H2'H-[34'-bichromene]-22'-dione

SMILES

OCCN1CCN(Cc(c(O2)c(cc3)C(C4=Cc(cc(cc5)Cl)c5OC4=O)=CC2=O)c3O)CC1

InChI

InChI=1S/C25H23ClN2O6/c26-16-1-4-22-15(11-16)12-19(25(32)33-22)18-13-23(31)34-24-17(18)2-3-21(30)20(24)14-28-7-5-27(6-8-28)9-10-29/h1-4,11-13,29-30H,5-10,14H2

InChI Key

KMAKZSXUHOXGNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.92

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.409

Distribution Coefficient, logD

2.116

Water Solubility, LogSw

-3.34

Polar Surface Area

81.707

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G786-1897 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with G786-1897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1897?
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What is the minimum amount of G786-1897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1897
  • 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 G786-1897 available by request