5785-0923 Screening compound: N~1~-[1-(3-isopropenylphenyl)-1-methylethyl]tetrahydro-1,4(2H)-pyridinedicarboxamide

5785-0923 Screening compound: N~1~-[1-(3-isopropenylphenyl)-1-methylethyl]tetrahydro-1,4(2H)-pyridinedicarboxamide
5785-0923 Screening compound: N~1~-[1-(3-isopropenylphenyl)-1-methylethyl]tetrahydro-1,4(2H)-pyridinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5785-0923
N~1~-[1-(3-isopropenylphenyl)-1-methylethyl]tetrahydro-1,4(2H)-pyridinedicarboxamide

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

5785-0923

Molecular Formula

C19H27N3O2 (C19 H27 N3 O2)

Compound Name

N~1~-[1-(3-isopropenylphenyl)-1-methylethyl]tetrahydro-1,4(2H)-pyridinedicarboxamide

IUPAC name

n/a

SMILES

CC(C)(c1cc(C(C)=C)ccc1)NC(N(CC1)CCC1C(N)=O)=O

InChI

InChI=1S/C19H27N3O2/c1-13(2)15-6-5-7-16(12-15)19(3,4)21-18(24)22-10-8-14(9-11-22)17(20)23/h5-7,12,14H,1,8-11H2,2-4H3,(H2,20,23)(H,21,24)

InChI Key

KNJSVUIOPBFMMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01812560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.472

Distribution Coefficient, logD

2.472

Water Solubility, LogSw

-2.97

Polar Surface Area

60.101

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

5785-0923 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Soluble Diversity Library (15920 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5785-0923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5785-0923?
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What is the minimum amount of 5785-0923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5785-0923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5785-0923
  • 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 5785-0923 available by request