C748-0287 Screening compound: ethyl 4-{[2-({3-[ethyl(3-methylphenyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}piperidine-1-carboxylate

C748-0287 Screening compound: ethyl 4-{[2-({3-[ethyl(3-methylphenyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}piperidine-1-carboxylate
C748-0287 Screening compound: ethyl 4-{[2-({3-[ethyl(3-methylphenyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]amino}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C748-0287
ethyl 4-{[2-({3-[ethyl(3-methylphenyl)amino]propyl}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

C748-0287

Molecular Formula

C24H34N4O4 (C24 H34 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNC(C(C1=O)=O)=C1NC(CC1)CCN1C(OCC)=O)c1cc(C)ccc1

InChI

InChI=1S/C24H34N4O4/c1-4-27(19-9-6-8-17(3)16-19)13-7-12-25-20-21(23(30)22(20)29)26-18-10-14-28(15-11-18)24(31)32-5-2/h6,8-9,16,18,25-26H,4-5,7,10-15H2,1-3H3

InChI Key

UNJDNLXMANBJAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.968

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.12

Polar Surface Area

73.259

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

References: we are preparing a list of scientific research reports with C748-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C748-0287?
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What is the minimum amount of C748-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C748-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C748-0287
  • 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 C748-0287 available by request