4789-3955 Screening compound: 3-methylbenzyl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl) sulfide

4789-3955 Screening compound: 3-methylbenzyl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl) sulfide
4789-3955 Screening compound: 3-methylbenzyl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3955
3-methylbenzyl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl) sulfide

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

4789-3955

Molecular Formula

C18H18N2S2 (C18 H18 N2 S2)

Compound Name

3-methylbenzyl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl) sulfide

IUPAC name

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

SMILES

Cc1cccc(CSc2c(c(CCCC3)c3s3)c3ncn2)c1

InChI

InChI=1S/C18H18N2S2/c1-12-5-4-6-13(9-12)10-21-17-16-14-7-2-3-8-15(14)22-18(16)20-11-19-17/h4-6,9,11H,2-3,7-8,10H2,1H3

InChI Key

MITGMICNFNDVLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968187

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

5.677

Distribution Coefficient, logD

5.677

Water Solubility, LogSw

-5.82

Polar Surface Area

20.934

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4789-3955 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 4789-3955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3955?
Check Price and Availability of 4789-3955, 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 4789-3955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3955
  • 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 4789-3955 available by request