D103-1686 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide

D103-1686 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
D103-1686 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1686
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-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

D103-1686

Molecular Formula

C21H20N2O4S (C21 H20 N2 O4 S)

Compound Name

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-(3-carbamoyl-4567-tetrahydro-1-benzothiophen-2-yl)-68-dimethyl-4-oxo-4H-chromene-2-carboxamide

SMILES

Cc(cc1C)cc2c1OC(C(Nc1c(C(N)=O)c(CCCC3)c3s1)=O)=CC2=O

InChI

InChI=1S/C21H20N2O4S/c1-10-7-11(2)18-13(8-10)14(24)9-15(27-18)20(26)23-21-17(19(22)25)12-5-3-4-6-16(12)28-21/h7-9H,3-6H2,1-2H3,(H2,22,25)(H,23,26)

InChI Key

VHQWGGCEESTCGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06606338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-3.53

Polar Surface Area

78.606

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D103-1686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1686?
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What is the minimum amount of D103-1686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1686
  • 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 D103-1686 available by request