8019-9003 Screening compound: 3-benzyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

8019-9003 Screening compound: 3-benzyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
8019-9003 Screening compound: 3-benzyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9003
3-benzyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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

8019-9003

Molecular Formula

C17H16N2OS2 (C17 H16 N2 OS2)

Compound Name

3-benzyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-benzyl-5-sulfanyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

O=C1N(Cc2ccccc2)C(S)=Nc2c1c(CCCC1)c1s2

InChI

InChI=1S/C17H16N2OS2/c20-16-14-12-8-4-5-9-13(12)22-15(14)18-17(21)19(16)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,18,21)

InChI Key

SHYFDWYGFKOVKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01647582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.151

Distribution Coefficient, logD

0.137

Water Solubility, LogSw

-4.46

Polar Surface Area

25.372

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8019-9003 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-9003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9003?
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What is the minimum amount of 8019-9003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9003
  • 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 8019-9003 available by request