C284-0003 Screening compound: ethyl 4-{[({2-[(3,5-dimethoxyphenyl)carbamoyl]-4-nitrophenyl}carbamoyl)methyl]amino}piperidine-1-carboxylate

C284-0003 Screening compound: ethyl 4-{[({2-[(3,5-dimethoxyphenyl)carbamoyl]-4-nitrophenyl}carbamoyl)methyl]amino}piperidine-1-carboxylate
C284-0003 Screening compound: ethyl 4-{[({2-[(3,5-dimethoxyphenyl)carbamoyl]-4-nitrophenyl}carbamoyl)methyl]amino}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0003
ethyl 4-{[({2-[(3,5-dimethoxyphenyl)carbamoyl]-4-nitrophenyl}carbamoyl)methyl]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

C284-0003

Molecular Formula

C25H31N5O8 (C25 H31 N5 O8)

Compound Name

ethyl 4-{[({2-[(3,5-dimethoxyphenyl)carbamoyl]-4-nitrophenyl}carbamoyl)methyl]amino}piperidine-1-carboxylate

IUPAC name

ethyl 4-{[({2-[(35-dimethoxyphenyl)carbamoyl]-4-nitrophenyl}carbamoyl)methyl]amino}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NCC(Nc(ccc([N+]([O-])=O)c1)c1C(Nc1cc(OC)cc(OC)c1)=O)=O)=O

InChI

InChI=1S/C25H31N5O8/c1-4-38-25(33)29-9-7-16(8-10-29)26-15-23(31)28-22-6-5-18(30(34)35)13-21(22)24(32)27-17-11-19(36-2)14-20(12-17)37-3/h5-6,11-14,16,26H,4,7-10,15H2,1-3H3,(H,27,32)(H,28,31)

InChI Key

JKLAMQUFOCOODZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.55

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.384

Distribution Coefficient, logD

1.870

Water Solubility, LogSw

-3.11

Polar Surface Area

128.312

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C284-0003 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C284-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0003?
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What is the minimum amount of C284-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0003
  • 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 C284-0003 available by request