4112-4233 Screening compound: ethyl 4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yloxy)benzoate

4112-4233 Screening compound: ethyl 4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yloxy)benzoate
4112-4233 Screening compound: ethyl 4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yloxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-4233
ethyl 4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yloxy)benzoate

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

4112-4233

Molecular Formula

C19H18N2O3S (C19 H18 N2 O3 S)

Compound Name

ethyl 4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yloxy)benzoate

IUPAC name

ethyl 4-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yloxy}benzoate

SMILES

CCOC(c(cc1)ccc1Oc1c(c(CCCC2)c2s2)c2ncn1)=O

InChI

InChI=1S/C19H18N2O3S/c1-2-23-19(22)12-7-9-13(10-8-12)24-17-16-14-5-3-4-6-15(14)25-18(16)21-11-20-17/h7-11H,2-6H2,1H3

InChI Key

PVZOTMZOOGBPHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02330500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.333

Distribution Coefficient, logD

5.333

Water Solubility, LogSw

-5.36

Polar Surface Area

49.333

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

4112-4233 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4112-4233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-4233?
Check Price and Availability of 4112-4233, 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 4112-4233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-4233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-4233
  • 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 4112-4233 available by request