C748-1207 Screening compound: ethyl 4-[2-(4-benzylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate

C748-1207 Screening compound: ethyl 4-[2-(4-benzylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate
C748-1207 Screening compound: ethyl 4-[2-(4-benzylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C748-1207
ethyl 4-[2-(4-benzylpiperazin-1-yl)-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

C748-1207

Molecular Formula

C22H28N4O4 (C22 H28 N4 O4)

Compound Name

ethyl 4-[2-(4-benzylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-(4-benzylpiperazin-1-yl)-34-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C1=O)=O)=C1N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C22H28N4O4/c1-2-30-22(29)26-14-12-25(13-15-26)19-18(20(27)21(19)28)24-10-8-23(9-11-24)16-17-6-4-3-5-7-17/h3-7H,2,8-16H2,1H3

InChI Key

WJJFLFIOSAIFRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.329

Water Solubility, LogSw

-2.44

Polar Surface Area

60.116

Acid Dissociation Constant (pKa)

28.77

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C748-1207 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 C748-1207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C748-1207?
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What is the minimum amount of C748-1207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C748-1207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C748-1207
  • 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 C748-1207 available by request