C748-0095 Screening compound: ethyl 4-({3,4-dioxo-2-[(3-phenylpropyl)amino]cyclobut-1-en-1-yl}amino)piperidine-1-carboxylate

C748-0095 Screening compound: ethyl 4-({3,4-dioxo-2-[(3-phenylpropyl)amino]cyclobut-1-en-1-yl}amino)piperidine-1-carboxylate
C748-0095 Screening compound: ethyl 4-({3,4-dioxo-2-[(3-phenylpropyl)amino]cyclobut-1-en-1-yl}amino)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C748-0095
ethyl 4-({3,4-dioxo-2-[(3-phenylpropyl)amino]cyclobut-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

C748-0095

Molecular Formula

C21H27N3O4 (C21 H27 N3 O4)

Compound Name

ethyl 4-({3,4-dioxo-2-[(3-phenylpropyl)amino]cyclobut-1-en-1-yl}amino)piperidine-1-carboxylate

IUPAC name

ethyl 4-({34-dioxo-2-[(3-phenylpropyl)amino]cyclobut-1-en-1-yl}amino)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(C(C1=O)=O)=C1NCCCc1ccccc1)=O

InChI

InChI=1S/C21H27N3O4/c1-2-28-21(27)24-13-10-16(11-14-24)23-18-17(19(25)20(18)26)22-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,16,22-23H,2,6,9-14H2,1H3

InChI Key

XXNMRLKBAPNNBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-2.96

Polar Surface Area

70.269

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with C748-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C748-0095?
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What is the minimum amount of C748-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C748-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C748-0095
  • 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 C748-0095 available by request