G589-0508 Screening compound: N-(adamantan-1-yl)-4-[(1-methyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide

G589-0508 Screening compound: N-(adamantan-1-yl)-4-[(1-methyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide
G589-0508 Screening compound: N-(adamantan-1-yl)-4-[(1-methyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G589-0508
N-(adamantan-1-yl)-4-[(1-methyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide

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

G589-0508

Molecular Formula

C25H34N4O3S (C25 H34 N4 O3 S)

Compound Name

N-(adamantan-1-yl)-4-[(1-methyl-1H-indol-5-yl)sulfonyl]-1,4-diazepane-1-carboxamide

IUPAC name

N-(adamantan-1-yl)-4-[(1-methyl-1H-indol-5-yl)sulfonyl]-14-diazepane-1-carboxamide

SMILES

Cn(cc1)c(cc2)c1cc2S(N(CCC1)CCN1C(NC1(CC(C2)C3)CC3CC2C1)=O)(=O)=O

InChI

InChI=1S/C25H34N4O3S/c1-27-8-5-21-14-22(3-4-23(21)27)33(31,32)29-7-2-6-28(9-10-29)24(30)26-25-15-18-11-19(16-25)13-20(12-18)17-25/h3-5,8,14,18-20H,2,6-7,9-13,15-17H2,1H3,(H,26,30)

InChI Key

JSSYSCDMDZJWEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.01

Polar Surface Area

61.242

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.00

G589-0508 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G589-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G589-0508?
Check Price and Availability of G589-0508, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G589-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G589-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G589-0508
  • 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 G589-0508 available by request