C909-0298 Screening compound: 5,5-dioxo-N~2~-(tetrahydro-2-furanylmethyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C909-0298 Screening compound: 5,5-dioxo-N~2~-(tetrahydro-2-furanylmethyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C909-0298 Screening compound: 5,5-dioxo-N~2~-(tetrahydro-2-furanylmethyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0298
5,5-dioxo-N~2~-(tetrahydro-2-furanylmethyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

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

C909-0298

Molecular Formula

C17H17NO4S2 (C17 H17 NO4 S2)

Compound Name

5,5-dioxo-N~2~-(tetrahydro-2-furanylmethyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

IUPAC name

55-dioxo-N-[(oxolan-2-yl)methyl]-4H-5lambda6-thieno[32-c]thiochromene-2-carboxamide

SMILES

O=C(c1cc(CS(c2c-3cccc2)(=O)=O)c3s1)NCC1OCCC1

InChI

InChI=1S/C17H17NO4S2/c19-17(18-9-12-4-3-7-22-12)14-8-11-10-24(20,21)15-6-2-1-5-13(15)16(11)23-14/h1-2,5-6,8,12H,3-4,7,9-10H2,(H,18,19)/t12-/m1/s1

InChI Key

REYYPTSLEMOCBL-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14808074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.028

Distribution Coefficient, logD

2.028

Water Solubility, LogSw

-2.74

Polar Surface Area

62.499

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

C909-0298 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C909-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0298?
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What is the minimum amount of C909-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0298
  • 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 C909-0298 available by request