3788-0310 Screening compound: ethyl 4-[2-(N-benzylbenzenesulfonamido)benzoyl]piperazine-1-carboxylate

3788-0310 Screening compound: ethyl 4-[2-(N-benzylbenzenesulfonamido)benzoyl]piperazine-1-carboxylate
3788-0310 Screening compound: ethyl 4-[2-(N-benzylbenzenesulfonamido)benzoyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-0310
ethyl 4-[2-(N-benzylbenzenesulfonamido)benzoyl]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

3788-0310

Molecular Formula

C27H29N3O5S (C27 H29 N3 O5 S)

Compound Name

ethyl 4-[2-(N-benzylbenzenesulfonamido)benzoyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-(N-benzylbenzenesulfonamido)benzoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cccc1)c1N(Cc1ccccc1)S(c1ccccc1)(=O)=O)=O)=O

InChI

InChI=1S/C27H29N3O5S/c1-2-35-27(32)29-19-17-28(18-20-29)26(31)24-15-9-10-16-25(24)30(21-22-11-5-3-6-12-22)36(33,34)23-13-7-4-8-14-23/h3-16H,2,17-21H2,1H3

InChI Key

YORGMTRAWIAQHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02806525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-4.02

Polar Surface Area

70.920

Acid Dissociation Constant (pKa)

25.25

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

3788-0310 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3788-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-0310?
Check Price and Availability of 3788-0310, 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 3788-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-0310
  • 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 3788-0310 available by request