4577-0064 Screening compound: ethyl 4-[2-(N-phenylmethanesulfonamido)propanoyl]piperazine-1-carboxylate

4577-0064 Screening compound: ethyl 4-[2-(N-phenylmethanesulfonamido)propanoyl]piperazine-1-carboxylate
4577-0064 Screening compound: ethyl 4-[2-(N-phenylmethanesulfonamido)propanoyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-0064
ethyl 4-[2-(N-phenylmethanesulfonamido)propanoyl]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

4577-0064

Molecular Formula

C17H25N3O5S (C17 H25 N3 O5 S)

Compound Name

ethyl 4-[2-(N-phenylmethanesulfonamido)propanoyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-(N-phenylmethanesulfonamido)propanoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C)N(c1ccccc1)S(C)(=O)=O)=O)=O

InChI

InChI=1S/C17H25N3O5S/c1-4-25-17(22)19-12-10-18(11-13-19)16(21)14(2)20(26(3,23)24)15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3/t14-/m0/s1

InChI Key

NUKGJMSHXBUNPF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03119405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-2.30

Polar Surface Area

71.767

Acid Dissociation Constant (pKa)

19.10

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

4577-0064 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4577-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-0064?
Check Price and Availability of 4577-0064, 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 4577-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-0064
  • 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 4577-0064 available by request