8009-0027 Screening compound: N,N-diethyl-1-{2-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]-4-nitrophenyl}piperidine-3-carboxamide

8009-0027 Screening compound: N,N-diethyl-1-{2-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]-4-nitrophenyl}piperidine-3-carboxamide
8009-0027 Screening compound: N,N-diethyl-1-{2-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]-4-nitrophenyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0027
N,N-diethyl-1-{2-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]-4-nitrophenyl}piperidine-3-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

8009-0027

Molecular Formula

C24H31N5O5S (C24 H31 N5 O5 S)

Compound Name

N,N-diethyl-1-{2-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]-4-nitrophenyl}piperidine-3-carboxamide

IUPAC name

NN-diethyl-1-{2-[(E)-[(4-methylbenzenesulfonamido)imino]methyl]-4-nitrophenyl}piperidine-3-carboxamide

SMILES

CCN(CC)C(C(CCC1)CN1c(cc1)c(/C=N/NS(c2ccc(C)cc2)(=O)=O)cc1[N+]([O-])=O)=O

InChI

InChI=1S/C24H31N5O5S/c1-4-27(5-2)24(30)19-7-6-14-28(17-19)23-13-10-21(29(31)32)15-20(23)16-25-26-35(33,34)22-11-8-18(3)9-12-22/h8-13,15-16,19,26H,4-7,14,17H2,1-3H3/t19-/m0/s1

InChI Key

MTEYTDYAMKSLGS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00323523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.901

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.95

Polar Surface Area

103.227

Acid Dissociation Constant (pKa)

6.72

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 8009-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0027?
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What is the minimum amount of 8009-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0027
  • 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 8009-0027 available by request