Y200-6821 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)piperazine

Y200-6821 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)piperazine
Y200-6821 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-6821
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)piperazine

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

Y200-6821

Molecular Formula

C22H21ClN2O3S (C22 H21 ClN2 O3 S)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)piperazine

SMILES

Cc(cc1)cc2c1c(Cl)c(C(N1CCN(Cc(cc3)cc4c3OCO4)CC1)=O)s2

InChI

InChI=1S/C22H21ClN2O3S/c1-14-2-4-16-19(10-14)29-21(20(16)23)22(26)25-8-6-24(7-9-25)12-15-3-5-17-18(11-15)28-13-27-17/h2-5,10-11H,6-9,12-13H2,1H3

InChI Key

NLTGOVNXSJDVAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03392266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.783

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.97

Polar Surface Area

38.289

Acid Dissociation Constant (pKa)

27.79

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with Y200-6821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-6821?
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What is the minimum amount of Y200-6821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-6821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-6821
  • 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 Y200-6821 available by request