E692-1393 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]piperidine-3-carboxamide

E692-1393 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]piperidine-3-carboxamide
E692-1393 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E692-1393
1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]piperidine-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

E692-1393

Molecular Formula

C25H38N4O5S (C25 H38 N4 O5 S)

Compound Name

1-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]piperidine-3-carboxamide

IUPAC name

1-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1S(N(CC1)CCC11OCCO1)(=O)=O)NCCCN(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H38N4O5S/c30-24(26-11-4-12-27-14-8-21-5-1-2-6-22(21)19-27)23-7-3-13-29(20-23)35(31,32)28-15-9-25(10-16-28)33-17-18-34-25/h1-2,5-6,23H,3-4,7-20H2,(H,26,30)/t23-/m0/s1

InChI Key

DBEDRUPSHWVYRP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14910441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.277

Distribution Coefficient, logD

0.073

Water Solubility, LogSw

-2.30

Polar Surface Area

76.625

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.00

References: we are preparing a list of scientific research reports with E692-1393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E692-1393?
Check Price and Availability of E692-1393, 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 E692-1393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E692-1393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E692-1393
  • 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 E692-1393 available by request