SC13-0554 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(methylsulfonyl)(3-pyridylmethyl)amino]tetrahydro-1(2H)-pyridinecarboxamide

SC13-0554 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(methylsulfonyl)(3-pyridylmethyl)amino]tetrahydro-1(2H)-pyridinecarboxamide
SC13-0554 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(methylsulfonyl)(3-pyridylmethyl)amino]tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC13-0554
N-(3,4-dimethoxyphenyl)-3-[(methylsulfonyl)(3-pyridylmethyl)amino]tetrahydro-1(2H)-pyridinecarboxamide

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

SC13-0554

Molecular Formula

C21H28N4O5S (C21 H28 N4 O5 S)

Compound Name

N-(3,4-dimethoxyphenyl)-3-[(methylsulfonyl)(3-pyridylmethyl)amino]tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(34-dimethoxyphenyl)-3-{N-[(pyridin-3-yl)methyl]methanesulfonamido}piperidine-1-carboxamide

SMILES

COc(ccc(NC(N(CCC1)CC1N(Cc1cnccc1)S(C)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C21H28N4O5S/c1-29-19-9-8-17(12-20(19)30-2)23-21(26)24-11-5-7-18(15-24)25(31(3,27)28)14-16-6-4-10-22-13-16/h4,6,8-10,12-13,18H,5,7,11,14-15H2,1-3H3,(H,23,26)/t18-/m0/s1

InChI Key

MTWALBAEFADHBO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32255610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.133

Distribution Coefficient, logD

1.133

Water Solubility, LogSw

-1.93

Polar Surface Area

81.378

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

SC13-0554 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 SC13-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC13-0554?
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What is the minimum amount of SC13-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC13-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC13-0554
  • 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 SC13-0554 available by request