C748-1361 Screening compound: ethyl 4-[2-({3-[benzyl(ethyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate

C748-1361 Screening compound: ethyl 4-[2-({3-[benzyl(ethyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate
C748-1361 Screening compound: ethyl 4-[2-({3-[benzyl(ethyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C748-1361
ethyl 4-[2-({3-[benzyl(ethyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]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

C748-1361

Molecular Formula

C23H32N4O4 (C23 H32 N4 O4)

Compound Name

ethyl 4-[2-({3-[benzyl(ethyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-({3-[benzyl(ethyl)amino]propyl}amino)-34-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate

SMILES

CCN(CCCNC(C(C1=O)=O)=C1N(CC1)CCN1C(OCC)=O)Cc1ccccc1

InChI

InChI=1S/C23H32N4O4/c1-3-25(17-18-9-6-5-7-10-18)12-8-11-24-19-20(22(29)21(19)28)26-13-15-27(16-14-26)23(30)31-4-2/h5-7,9-10,24H,3-4,8,11-17H2,1-2H3

InChI Key

MYFVWGDYJNFUHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

0.678

Water Solubility, LogSw

-2.69

Polar Surface Area

67.167

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C748-1361 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 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 C748-1361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C748-1361?
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What is the minimum amount of C748-1361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C748-1361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C748-1361
  • 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 C748-1361 available by request