D103-1654 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-furylmethyl)-5,7-dimethyl-4-oxo-4H-chromene-2-carboxamide

D103-1654 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-furylmethyl)-5,7-dimethyl-4-oxo-4H-chromene-2-carboxamide
D103-1654 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-furylmethyl)-5,7-dimethyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1654
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-furylmethyl)-5,7-dimethyl-4-oxo-4H-chromene-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

D103-1654

Molecular Formula

C21H21NO6S (C21 H21 NO6 S)

Compound Name

N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-furylmethyl)-5,7-dimethyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(furan-2-yl)methyl]-57-dimethyl-4-oxo-4H-chromene-2-carboxamide

SMILES

Cc(cc1C)cc(OC(C(N(Cc2ccco2)C(CC2)CS2(=O)=O)=O)=C2)c1C2=O

InChI

InChI=1S/C21H21NO6S/c1-13-8-14(2)20-17(23)10-19(28-18(20)9-13)21(24)22(11-16-4-3-6-27-16)15-5-7-29(25,26)12-15/h3-4,6,8-10,15H,5,7,11-12H2,1-2H3/t15-/m1/s1

InChI Key

BITBHOGJJJDLPQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD12914746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.843

Distribution Coefficient, logD

2.843

Water Solubility, LogSw

-3.19

Polar Surface Area

73.427

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D103-1654 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D103-1654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1654?
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What is the minimum amount of D103-1654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1654
  • 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 D103-1654 available by request