8018-6199 Screening compound: N-({4H,5aH,6H,7H,8H,9H,9aH-thieno[3,2-c]chromen-4-yl}methyl)-N-methylmethanesulfonamide

8018-6199 Screening compound: N-({4H,5aH,6H,7H,8H,9H,9aH-thieno[3,2-c]chromen-4-yl}methyl)-N-methylmethanesulfonamide
8018-6199 Screening compound: N-({4H,5aH,6H,7H,8H,9H,9aH-thieno[3,2-c]chromen-4-yl}methyl)-N-methylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6199
N-({4H,5aH,6H,7H,8H,9H,9aH-thieno[3,2-c]chromen-4-yl}methyl)-N-methylmethanesulfonamide

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

8018-6199

Molecular Formula

C14H21NO3S2 (C14 H21 NO3 S2)

Compound Name

N-({4H,5aH,6H,7H,8H,9H,9aH-thieno[3,2-c]chromen-4-yl}methyl)-N-methylmethanesulfonamide

IUPAC name

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

SMILES

CN(CC1OC(CCCC2)C2c2c1ccs2)S(C)(=O)=O

InChI

InChI=1S/C14H21NO3S2/c1-15(20(2,16)17)9-13-11-7-8-19-14(11)10-5-3-4-6-12(10)18-13/h7-8,10,12-13H,3-6,9H2,1-2H3

InChI Key

GLBKKNBARCSYRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.770

Distribution Coefficient, logD

2.770

Water Solubility, LogSw

-3.17

Polar Surface Area

41.659

Acid Dissociation Constant (pKa)

23.72

Base Dissociation Constant (pKb)

-8.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

71.43

8018-6199 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-6199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6199?
Check Price and Availability of 8018-6199, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-6199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6199
  • 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 8018-6199 available by request