C748-0183 Screening compound: ethyl 4-[(2-{[1-(ethoxycarbonyl)piperidin-4-yl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate

C748-0183 Screening compound: ethyl 4-[(2-{[1-(ethoxycarbonyl)piperidin-4-yl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
C748-0183 Screening compound: ethyl 4-[(2-{[1-(ethoxycarbonyl)piperidin-4-yl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C748-0183
ethyl 4-[(2-{[1-(ethoxycarbonyl)piperidin-4-yl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-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

C748-0183

Molecular Formula

C20H30N4O6 (C20 H30 N4 O6)

Compound Name

ethyl 4-[(2-{[1-(ethoxycarbonyl)piperidin-4-yl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate

IUPAC name

ethyl 4-[(2-{[1-(ethoxycarbonyl)piperidin-4-yl]amino}-34-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(C(C1=O)=O)=C1NC(CC1)CCN1C(OCC)=O)=O

InChI

InChI=1S/C20H30N4O6/c1-3-29-19(27)23-9-5-13(6-10-23)21-15-16(18(26)17(15)25)22-14-7-11-24(12-8-14)20(28)30-4-2/h13-14,21-22H,3-12H2,1-2H3

InChI Key

BEBAIDREZIJGBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.301

Distribution Coefficient, logD

1.300

Water Solubility, LogSw

-1.65

Polar Surface Area

92.933

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

C748-0183 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 C748-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C748-0183?
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What is the minimum amount of C748-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C748-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C748-0183
  • 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 C748-0183 available by request