E685-0479 Screening compound: ethyl 4-[4-(N-methyl4-methoxybenzenesulfonamido)pyridine-2-carbonyl]piperazine-1-carboxylate

E685-0479 Screening compound: ethyl 4-[4-(N-methyl4-methoxybenzenesulfonamido)pyridine-2-carbonyl]piperazine-1-carboxylate
E685-0479 Screening compound: ethyl 4-[4-(N-methyl4-methoxybenzenesulfonamido)pyridine-2-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E685-0479
ethyl 4-[4-(N-methyl4-methoxybenzenesulfonamido)pyridine-2-carbonyl]piperazine-1-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

E685-0479

Molecular Formula

C21H26N4O6S (C21 H26 N4 O6 S)

Compound Name

ethyl 4-[4-(N-methyl4-methoxybenzenesulfonamido)pyridine-2-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[4-(N-methyl4-methoxybenzenesulfonamido)pyridine-2-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1nccc(N(C)S(c(cc2)ccc2OC)(=O)=O)c1)=O)=O

InChI

InChI=1S/C21H26N4O6S/c1-4-31-21(27)25-13-11-24(12-14-25)20(26)19-15-16(9-10-22-19)23(2)32(28,29)18-7-5-17(30-3)6-8-18/h5-10,15H,4,11-14H2,1-3H3

InChI Key

NUOMIOUWQMQSMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.334

Distribution Coefficient, logD

2.334

Water Solubility, LogSw

-2.89

Polar Surface Area

89.080

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E685-0479 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 E685-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E685-0479?
Check Price and Availability of E685-0479, 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 E685-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E685-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E685-0479
  • 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 E685-0479 available by request