L894-0712 Screening compound: 8-(1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

L894-0712 Screening compound: 8-(1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane
L894-0712 Screening compound: 8-(1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound L894-0712
8-(1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

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

L894-0712

Molecular Formula

C24H30N4O3S (C24 H30 N4 O3 S)

Compound Name

8-(1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-(1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc1cccc(Sc2nccnc2N(CC2)CCC2C(N(CC2)CCC22OCCO2)=O)c1

InChI

InChI=1S/C24H30N4O3S/c1-18-3-2-4-20(17-18)32-22-21(25-9-10-26-22)27-11-5-19(6-12-27)23(29)28-13-7-24(8-14-28)30-15-16-31-24/h2-4,9-10,17,19H,5-8,11-16H2,1H3

InChI Key

WIGDFXSOLTVSEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.294

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.29

Polar Surface Area

52.665

Acid Dissociation Constant (pKa)

22.96

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

L894-0712 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L894-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L894-0712?
Check Price and Availability of L894-0712, 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 L894-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L894-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L894-0712
  • 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 L894-0712 available by request