Y200-6637 Screening compound: ethyl 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate

Y200-6637 Screening compound: ethyl 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate
Y200-6637 Screening compound: ethyl 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-6637
ethyl 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate

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

Y200-6637

Molecular Formula

C21H26N4O5S (C21 H26 N4 O5 S)

Compound Name

ethyl 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(CN2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)s1)=O

InChI

InChI=1S/C21H26N4O5S/c1-3-28-20(27)19-14(2)22-21(31-19)23-18(26)12-25-8-6-24(7-9-25)11-15-4-5-16-17(10-15)30-13-29-16/h4-5,10H,3,6-9,11-13H2,1-2H3,(H,22,23,26)

InChI Key

XCLQYUUGNFDDRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05147834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

2.164

Water Solubility, LogSw

-3.04

Polar Surface Area

79.153

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

Y200-6637 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y200-6637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-6637?
Check Price and Availability of Y200-6637, 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 Y200-6637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-6637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-6637
  • 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 Y200-6637 available by request