D103-1801 Screening compound: methyl 2-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D103-1801 Screening compound: methyl 2-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D103-1801 Screening compound: methyl 2-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1801
methyl 2-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

D103-1801

Molecular Formula

C22H21NO5S (C22 H21 NO5 S)

Compound Name

methyl 2-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-(78-dimethyl-4-oxo-4H-chromene-2-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

Cc(cc1)c(C)c(OC(C(Nc2c(C(OC)=O)c(CCCC3)c3s2)=O)=C2)c1C2=O

InChI

InChI=1S/C22H21NO5S/c1-11-8-9-13-15(24)10-16(28-19(13)12(11)2)20(25)23-21-18(22(26)27-3)14-6-4-5-7-17(14)29-21/h8-10H,4-7H2,1-3H3,(H,23,25)

InChI Key

IGKZCYYWZUBTOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

1.653

Water Solubility, LogSw

-4.78

Polar Surface Area

65.721

Acid Dissociation Constant (pKa)

4.15

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with D103-1801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1801?
Check Price and Availability of D103-1801, 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 D103-1801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1801
  • 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 D103-1801 available by request