E532-1672 Screening compound: N-(4-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

E532-1672 Screening compound: N-(4-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
E532-1672 Screening compound: N-(4-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E532-1672
N-(4-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-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

E532-1672

Molecular Formula

C26H38N4O3S (C26 H38 N4 O3 S)

Compound Name

N-(4-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

IUPAC name

N-(4-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-56-dihydro-14-oxathiine-3-carboxamide

SMILES

CC1=C(C(Nc(cc2)ccc2C(NCCCN(CC2)CCN2C2CCCCC2)=O)=O)SCCO1

InChI

InChI=1S/C26H38N4O3S/c1-20-24(34-19-18-33-20)26(32)28-22-10-8-21(9-11-22)25(31)27-12-5-13-29-14-16-30(17-15-29)23-6-3-2-4-7-23/h8-11,23H,2-7,12-19H2,1H3,(H,27,31)(H,28,32)

InChI Key

VPLJKAIDSAOJPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14895740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.172

Distribution Coefficient, logD

2.172

Water Solubility, LogSw

-2.65

Polar Surface Area

62.931

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

E532-1672 in Drug Discovery

Included in Screening Libraries

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 E532-1672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E532-1672?
Check Price and Availability of E532-1672, 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 E532-1672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E532-1672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E532-1672
  • 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 E532-1672 available by request