C748-1138 Screening compound: ethyl 4-[2-(azepan-1-yl)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate

C748-1138 Screening compound: ethyl 4-[2-(azepan-1-yl)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate
C748-1138 Screening compound: ethyl 4-[2-(azepan-1-yl)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C748-1138
ethyl 4-[2-(azepan-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

C748-1138

Molecular Formula

C17H25N3O4 (C17 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCN1C(C(C1=O)=O)=C1N1CCCCCC1)=O

InChI

InChI=1S/C17H25N3O4/c1-2-24-17(23)20-11-9-19(10-12-20)14-13(15(21)16(14)22)18-7-5-3-4-6-8-18/h2-12H2,1H3

InChI Key

PTISLSNORVNWEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.511

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.12

Polar Surface Area

56.907

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.60

C748-1138 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C748-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C748-1138?
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What is the minimum amount of C748-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C748-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C748-1138
  • 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 C748-1138 available by request