G585-1464 Screening compound: 5-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-1-methyl-1H-indole

G585-1464 Screening compound: 5-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-1-methyl-1H-indole
G585-1464 Screening compound: 5-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-1-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound G585-1464
5-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-1-methyl-1H-indole

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

G585-1464

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

5-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-1-methyl-1H-indole

IUPAC name

5-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-1-methyl-1H-indole

SMILES

Cn(cc1)c(cc2)c1cc2S(N(CCC1)CC1C(N1CCCCCC1)=O)(=O)=O

InChI

InChI=1S/C21H29N3O3S/c1-22-14-10-17-15-19(8-9-20(17)22)28(26,27)24-13-6-7-18(16-24)21(25)23-11-4-2-3-5-12-23/h8-10,14-15,18H,2-7,11-13,16H2,1H3/t18-/m0/s1

InChI Key

ARFAQMAJIZOPQT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15021004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.912

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.25

Polar Surface Area

51.529

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

G585-1464 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G585-1464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G585-1464?
Check Price and Availability of G585-1464, 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 G585-1464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G585-1464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G585-1464
  • 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 G585-1464 available by request