E511-3787 Screening compound: 1-[(2-phenyl-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

E511-3787 Screening compound: 1-[(2-phenyl-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
E511-3787 Screening compound: 1-[(2-phenyl-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-3787
1-[(2-phenyl-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-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

E511-3787

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

1-[(2-phenyl-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

IUPAC name

1-[(2-phenyl-1H-13-benzodiazol-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c(cc1)cc2c1[nH]c(-c1ccccc1)n2)(=O)=O)NCCc1ccccc1

InChI

InChI=1S/C27H28N4O3S/c32-27(28-16-13-20-7-3-1-4-8-20)22-14-17-31(18-15-22)35(33,34)23-11-12-24-25(19-23)30-26(29-24)21-9-5-2-6-10-21/h1-12,19,22H,13-18H2,(H,28,32)(H,29,30)

InChI Key

FDVOQVUGJAYNGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-4.19

Polar Surface Area

75.224

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.93

E511-3787 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 E511-3787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-3787?
Check Price and Availability of E511-3787, 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 E511-3787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-3787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-3787
  • 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 E511-3787 available by request