SA93-0406 Screening compound: 3-(cyclopropylmethyl)-N1-(2,5-dimethoxyphenyl)piperidine-1,3-dicarboxamide

SA93-0406 Screening compound: 3-(cyclopropylmethyl)-N1-(2,5-dimethoxyphenyl)piperidine-1,3-dicarboxamide
SA93-0406 Screening compound: 3-(cyclopropylmethyl)-N1-(2,5-dimethoxyphenyl)piperidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA93-0406
3-(cyclopropylmethyl)-N1-(2,5-dimethoxyphenyl)piperidine-1,3-dicarboxamide

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

SA93-0406

Molecular Formula

C19H27N3O4 (C19 H27 N3 O4)

Compound Name

3-(cyclopropylmethyl)-N1-(2,5-dimethoxyphenyl)piperidine-1,3-dicarboxamide

IUPAC name

3-(cyclopropylmethyl)-N1-(25-dimethoxyphenyl)piperidine-13-dicarboxamide

SMILES

COc(cc1)cc(NC(N(CCC2)CC2(CC2CC2)C(N)=O)=O)c1OC

InChI

InChI=1S/C19H27N3O4/c1-25-14-6-7-16(26-2)15(10-14)21-18(24)22-9-3-8-19(12-22,17(20)23)11-13-4-5-13/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H2,20,23)(H,21,24)/t19-/m1/s1

InChI Key

UDZKJOXLEDTAEN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32243852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.038

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-3.01

Polar Surface Area

74.428

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SA93-0406 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SA93-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA93-0406?
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What is the minimum amount of SA93-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA93-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA93-0406
  • 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 SA93-0406 available by request