8018-6492 Screening compound: N-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-ylmethyl)-N-methylamine

8018-6492 Screening compound: N-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-ylmethyl)-N-methylamine
8018-6492 Screening compound: N-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-ylmethyl)-N-methylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6492
N-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-ylmethyl)-N-methylamine

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

8018-6492

Molecular Formula

C13H19NOS (C13 H19 NOS)

Compound Name

N-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-ylmethyl)-N-methylamine

IUPAC name

({4H5aH6H7H8H9H9aH-thieno[32-c]chromen-4-yl}methyl)(methyl)amine

SMILES

CNCC1OC(CCCC2)C2c2c1ccs2

InChI

InChI=1S/C13H19NOS/c1-14-8-12-10-6-7-16-13(10)9-4-2-3-5-11(9)15-12/h6-7,9,11-12,14H,2-5,8H2,1H3

InChI Key

SSQGFXDMCNKSBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07801054

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

237.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-2.94

Polar Surface Area

21.305

Acid Dissociation Constant (pKa)

23.72

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

69.23

8018-6492 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-6492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6492?
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What is the minimum amount of 8018-6492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6492
  • 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 8018-6492 available by request