4789-3989 Screening compound: 4-[(4-fluorobenzyl)sulfanyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

4789-3989 Screening compound: 4-[(4-fluorobenzyl)sulfanyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
4789-3989 Screening compound: 4-[(4-fluorobenzyl)sulfanyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3989
4-[(4-fluorobenzyl)sulfanyl]-7-methyl-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

4789-3989

Molecular Formula

C18H17FN2S2 (C18 H17 FN2 S2)

Compound Name

4-[(4-fluorobenzyl)sulfanyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

3-{[(4-fluorophenyl)methyl]sulfanyl}-11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CC(CC1)Cc(sc2ncn3)c1c2c3SCc(cc1)ccc1F

InChI

InChI=1S/C18H17FN2S2/c1-11-2-7-14-15(8-11)23-18-16(14)17(20-10-21-18)22-9-12-3-5-13(19)6-4-12/h3-6,10-11H,2,7-9H2,1H3/t11-/m1/s1

InChI Key

KEGKOLOGTBRICK-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02968213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.48

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

5.216

Distribution Coefficient, logD

5.216

Water Solubility, LogSw

-5.33

Polar Surface Area

20.934

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4789-3989 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4789-3989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3989?
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What is the minimum amount of 4789-3989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3989
  • 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 4789-3989 available by request