G806-0185 Screening compound: 1,3,3-trimethyl-5-({4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-2-one

G806-0185 Screening compound: 1,3,3-trimethyl-5-({4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-2-one
G806-0185 Screening compound: 1,3,3-trimethyl-5-({4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G806-0185
1,3,3-trimethyl-5-({4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-2-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

G806-0185

Molecular Formula

C25H33N3O6S (C25 H33 N3 O6 S)

Compound Name

1,3,3-trimethyl-5-({4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-2-one

IUPAC name

133-trimethyl-5-({4-[(234-trimethoxyphenyl)methyl]piperazin-1-yl}sulfonyl)-23-dihydro-1H-indol-2-one

SMILES

CC(C)(c(cc(cc1)S(N2CCN(Cc(ccc(OC)c3OC)c3OC)CC2)(=O)=O)c1N1C)C1=O

InChI

InChI=1S/C25H33N3O6S/c1-25(2)19-15-18(8-9-20(19)26(3)24(25)29)35(30,31)28-13-11-27(12-14-28)16-17-7-10-21(32-4)23(34-6)22(17)33-5/h7-10,15H,11-14,16H2,1-6H3

InChI Key

KLKIKMJIYJHUGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-3.30

Polar Surface Area

74.060

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

G806-0185 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G806-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G806-0185?
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What is the minimum amount of G806-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G806-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G806-0185
  • 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 G806-0185 available by request