L899-0680 Screening compound: 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl}ethan-1-one

L899-0680 Screening compound: 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl}ethan-1-one
L899-0680 Screening compound: 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L899-0680
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl}ethan-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

L899-0680

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl}ethan-1-one

IUPAC name

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-{[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl}ethan-1-one

SMILES

CCOc(cccc1)c1N(CC1)CCN1C(CSc1nccnc1Oc1c(C)cccc1)=O

InChI

InChI=1S/C25H28N4O3S/c1-3-31-22-11-7-5-9-20(22)28-14-16-29(17-15-28)23(30)18-33-25-24(26-12-13-27-25)32-21-10-6-4-8-19(21)2/h4-13H,3,14-18H2,1-2H3

InChI Key

VNYOPPJHBVUSMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.36

Polar Surface Area

52.348

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L899-0680 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L899-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L899-0680?
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What is the minimum amount of L899-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L899-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L899-0680
  • 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 L899-0680 available by request