4112-3764 Screening compound: 2-ethyl-4-(phenylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

4112-3764 Screening compound: 2-ethyl-4-(phenylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
4112-3764 Screening compound: 2-ethyl-4-(phenylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-3764
2-ethyl-4-(phenylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

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

4112-3764

Molecular Formula

C18H18N2S2 (C18 H18 N2 S2)

Compound Name

2-ethyl-4-(phenylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

5-ethyl-3-(phenylsulfanyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CCc1nc(Sc2ccccc2)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C18H18N2S2/c1-2-15-19-17(21-12-8-4-3-5-9-12)16-13-10-6-7-11-14(13)22-18(16)20-15/h3-5,8-9H,2,6-7,10-11H2,1H3

InChI Key

INZHTBOWFRIPAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02330049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.920

Distribution Coefficient, logD

5.920

Water Solubility, LogSw

-5.92

Polar Surface Area

20.685

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4112-3764 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4112-3764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-3764?
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What is the minimum amount of 4112-3764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-3764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-3764
  • 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 4112-3764 available by request