C906-0544 Screening compound: N-(3-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide

C906-0544 Screening compound: N-(3-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
C906-0544 Screening compound: N-(3-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C906-0544
N-(3-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide

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

C906-0544

Molecular Formula

C26H33N3O4 (C26 H33 N3 O4)

Compound Name

N-(3-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide

IUPAC name

N-(3-acetylphenyl)-4-({[2-(4-methylpiperidin-1-yl)-34-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide

SMILES

CC(CC1)CCN1C(C(C1=O)=O)=C1NCC(CC1)CCC1C(Nc1cc(C(C)=O)ccc1)=O

InChI

InChI=1S/C26H33N3O4/c1-16-10-12-29(13-11-16)23-22(24(31)25(23)32)27-15-18-6-8-19(9-7-18)26(33)28-21-5-3-4-20(14-21)17(2)30/h3-5,14,16,18-19,27H,6-13,15H2,1-2H3,(H,28,33)

InChI Key

DYDACOOMJCMUBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-3.75

Polar Surface Area

77.969

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with C906-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C906-0544?
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What is the minimum amount of C906-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C906-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C906-0544
  • 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 C906-0544 available by request