4779-0099 Screening compound: N-(4-chlorophenyl)-4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide

4779-0099 Screening compound: N-(4-chlorophenyl)-4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide
4779-0099 Screening compound: N-(4-chlorophenyl)-4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4779-0099
N-(4-chlorophenyl)-4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-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

4779-0099

Molecular Formula

C28H33ClN4O5 (C28 H33 ClN4 O5)

Compound Name

N-(4-chlorophenyl)-4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide

IUPAC name

N-(4-chlorophenyl)-4-[2-({[4-(34-dimethoxyphenyl)-26-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide

SMILES

COc(ccc(C(CC(C1=CNCCN(CC2)CCN2C(Nc(cc2)ccc2Cl)=O)=O)CC1=O)c1)c1OC

InChI

InChI=1S/C28H33ClN4O5/c1-37-26-8-3-19(17-27(26)38-2)20-15-24(34)23(25(35)16-20)18-30-9-10-32-11-13-33(14-12-32)28(36)31-22-6-4-21(29)5-7-22/h3-8,17-18,20,30H,9-16H2,1-2H3,(H,31,36)

InChI Key

LTFQTZXERMTFSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03163305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.05

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.450

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-3.61

Polar Surface Area

83.877

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with 4779-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4779-0099?
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What is the minimum amount of 4779-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4779-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4779-0099
  • 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 4779-0099 available by request