8640-0545 Screening compound: 6-[(3-hydroxypropyl)amino]-3,3-dimethyl-8-(2-methylpropyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

8640-0545 Screening compound: 6-[(3-hydroxypropyl)amino]-3,3-dimethyl-8-(2-methylpropyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
8640-0545 Screening compound: 6-[(3-hydroxypropyl)amino]-3,3-dimethyl-8-(2-methylpropyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0545
6-[(3-hydroxypropyl)amino]-3,3-dimethyl-8-(2-methylpropyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

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

8640-0545

Molecular Formula

C18H27N3O2 (C18 H27 N3 O2)

Compound Name

6-[(3-hydroxypropyl)amino]-3,3-dimethyl-8-(2-methylpropyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

IUPAC name

6-[(3-hydroxypropyl)amino]-33-dimethyl-8-(2-methylpropyl)-1H3H4H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CC(C)Cc(c1c2CC(C)(C)OC1)nc(NCCCO)c2C#N

InChI

InChI=1S/C18H27N3O2/c1-12(2)8-16-15-11-23-18(3,4)9-13(15)14(10-19)17(21-16)20-6-5-7-22/h12,22H,5-9,11H2,1-4H3,(H,20,21)

InChI Key

IHWVPYTWCXZVCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01551288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.188

Distribution Coefficient, logD

3.188

Water Solubility, LogSw

-3.36

Polar Surface Area

62.437

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

8640-0545 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8640-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0545?
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What is the minimum amount of 8640-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0545
  • 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 8640-0545 available by request