E848-0970 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{3-[benzyl(methyl)amino]propyl}acetamide

E848-0970 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{3-[benzyl(methyl)amino]propyl}acetamide
E848-0970 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{3-[benzyl(methyl)amino]propyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-0970
2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{3-[benzyl(methyl)amino]propyl}acetamide

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

E848-0970

Molecular Formula

C27H36N4O3S (C27 H36 N4 O3 S)

Compound Name

2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{3-[benzyl(methyl)amino]propyl}acetamide

IUPAC name

2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{3-[benzyl(methyl)amino]propyl}acetamide

SMILES

CN(CCCNC(Cn(cc1)c(cc2)c1cc2S(N1CCCCCC1)(=O)=O)=O)Cc1ccccc1

InChI

InChI=1S/C27H36N4O3S/c1-29(21-23-10-5-4-6-11-23)16-9-15-28-27(32)22-30-19-14-24-20-25(12-13-26(24)30)35(33,34)31-17-7-2-3-8-18-31/h4-6,10-14,19-20H,2-3,7-9,15-18,21-22H2,1H3,(H,28,32)

InChI Key

GADPVRNFLAJRNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.440

Distribution Coefficient, logD

1.943

Water Solubility, LogSw

-3.75

Polar Surface Area

62.527

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

E848-0970 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E848-0970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-0970?
Check Price and Availability of E848-0970, 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 E848-0970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-0970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-0970
  • 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 E848-0970 available by request