E848-1251 Screening compound: 3-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

E848-1251 Screening compound: 3-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
E848-1251 Screening compound: 3-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-1251
3-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-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

E848-1251

Molecular Formula

C27H34N4O3S (C27 H34 N4 O3 S)

Compound Name

3-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

IUPAC name

3-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

SMILES

O=C(CCn(cc1)c(cc2)c1cc2S(N1CCCCCC1)(=O)=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C27H34N4O3S/c32-27(30-20-18-28(19-21-30)24-8-4-3-5-9-24)13-17-29-16-12-23-22-25(10-11-26(23)29)35(33,34)31-14-6-1-2-7-15-31/h3-5,8-12,16,22H,1-2,6-7,13-15,17-21H2

InChI Key

AHJXZOBUHLMDEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-4.05

Polar Surface Area

53.751

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

E848-1251 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 E848-1251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-1251?
Check Price and Availability of E848-1251, 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 E848-1251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-1251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-1251
  • 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 E848-1251 available by request