D306-0509 Screening compound: ethyl 6-methyl-2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D306-0509 Screening compound: ethyl 6-methyl-2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D306-0509 Screening compound: ethyl 6-methyl-2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D306-0509
ethyl 6-methyl-2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-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

D306-0509

Molecular Formula

C19H23N3O3S2 (C19 H23 N3 O3 S2)

Compound Name

ethyl 6-methyl-2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 6-methyl-2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2ncnc(C)c2)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C19H23N3O3S2/c1-4-25-19(24)17-13-6-5-11(2)7-14(13)27-18(17)22-15(23)9-26-16-8-12(3)20-10-21-16/h8,10-11H,4-7,9H2,1-3H3,(H,22,23)/t11-/m1/s1

InChI Key

IUBBBXKRBROVNS-LLVKDONJSA-N

MDL Number (MFCD)

MFCD10480053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.840

Distribution Coefficient, logD

1.737

Water Solubility, LogSw

-4.05

Polar Surface Area

62.562

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

D306-0509 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D306-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D306-0509?
Check Price and Availability of D306-0509, 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 D306-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D306-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D306-0509
  • 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 D306-0509 available by request