Y206-6962 Screening compound: 4-[(5-chloro-2-thienyl)methyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide

Y206-6962 Screening compound: 4-[(5-chloro-2-thienyl)methyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide
Y206-6962 Screening compound: 4-[(5-chloro-2-thienyl)methyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-6962
4-[(5-chloro-2-thienyl)methyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide

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

Y206-6962

Molecular Formula

C18H20ClN3O3S (C18 H20 ClN3 O3 S)

Compound Name

4-[(5-chloro-2-thienyl)methyl]-N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-[(5-chlorothiophen-2-yl)methyl]-N-(23-dihydro-14-benzodioxin-6-yl)piperazine-1-carboxamide

SMILES

O=C(Nc(cc1)cc2c1OCCO2)N1CCN(Cc(s2)ccc2Cl)CC1

InChI

InChI=1S/C18H20ClN3O3S/c19-17-4-2-14(26-17)12-21-5-7-22(8-6-21)18(23)20-13-1-3-15-16(11-13)25-10-9-24-15/h1-4,11H,5-10,12H2,(H,20,23)

InChI Key

JLYNRKDZPCXXFA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.223

Water Solubility, LogSw

-3.42

Polar Surface Area

46.089

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

References: we are preparing a list of scientific research reports with Y206-6962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-6962?
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What is the minimum amount of Y206-6962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-6962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-6962
  • 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 Y206-6962 available by request