Y206-1796 Screening compound: methyl 3-({[4-(4-nitrophenyl)piperazino]carbonyl}amino)-2-thiophenecarboxylate

Y206-1796 Screening compound: methyl 3-({[4-(4-nitrophenyl)piperazino]carbonyl}amino)-2-thiophenecarboxylate
Y206-1796 Screening compound: methyl 3-({[4-(4-nitrophenyl)piperazino]carbonyl}amino)-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-1796
methyl 3-({[4-(4-nitrophenyl)piperazino]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

Y206-1796

Molecular Formula

C17H18N4O5S (C17 H18 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(scc1)c1NC(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C17H18N4O5S/c1-26-16(22)15-14(6-11-27-15)18-17(23)20-9-7-19(8-10-20)12-2-4-13(5-3-12)21(24)25/h2-6,11H,7-10H2,1H3,(H,18,23)

InChI Key

MPYPIRQMVYSROM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.957

Water Solubility, LogSw

-3.50

Polar Surface Area

83.844

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with Y206-1796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-1796?
Check Price and Availability of Y206-1796, 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 Y206-1796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-1796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-1796
  • 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 Y206-1796 available by request