Y206-1787 Screening compound: methyl 3-{[(4-phenethylpiperazino)carbonyl]amino}-2-thiophenecarboxylate

Y206-1787 Screening compound: methyl 3-{[(4-phenethylpiperazino)carbonyl]amino}-2-thiophenecarboxylate
Y206-1787 Screening compound: methyl 3-{[(4-phenethylpiperazino)carbonyl]amino}-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-1787
methyl 3-{[(4-phenethylpiperazino)carbonyl]amino}-2-thiophenecarboxylate

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

Y206-1787

Molecular Formula

C19H23N3O3S (C19 H23 N3 O3 S)

Compound Name

methyl 3-{[(4-phenethylpiperazino)carbonyl]amino}-2-thiophenecarboxylate

IUPAC name

methyl 3-{[4-(2-phenylethyl)piperazine-1-carbonyl]amino}thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(N1CCN(CCc2ccccc2)CC1)=O)=O

InChI

InChI=1S/C19H23N3O3S/c1-25-18(23)17-16(8-14-26-17)20-19(24)22-12-10-21(11-13-22)9-7-15-5-3-2-4-6-15/h2-6,8,14H,7,9-13H2,1H3,(H,20,24)

InChI Key

SYAYWQHMOKIZGY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-3.40

Polar Surface Area

50.721

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

Y206-1787 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y206-1787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-1787?
Check Price and Availability of Y206-1787, 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 Y206-1787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-1787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-1787
  • 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 Y206-1787 available by request