4789-4004F Screening compound: 4-(allylsulfanyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

4789-4004F Screening compound: 4-(allylsulfanyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
4789-4004F Screening compound: 4-(allylsulfanyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-4004F
4-(allylsulfanyl)-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

4789-4004F

Molecular Formula

C14H16N2S2 (C14 H16 N2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)Cc(sc2ncn3)c1c2c3SCC=C

InChI

InChI=1S/C14H16N2S2/c1-3-6-17-13-12-10-5-4-9(2)7-11(10)18-14(12)16-8-15-13/h3,8-9H,1,4-7H2,2H3/t9-/m1/s1

InChI Key

AHUYKEVPTMRQTH-SECBINFHSA-N

MDL Number (MFCD)

MFCD02968228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.43

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

4.668

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.59

Polar Surface Area

21.205

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with 4789-4004F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-4004F?
Check Price and Availability of 4789-4004F, 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 4789-4004F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-4004F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-4004F
  • 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 4789-4004F available by request