5067-0649 Screening compound: 4-(4-isopropylphenoxy)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

5067-0649 Screening compound: 4-(4-isopropylphenoxy)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
5067-0649 Screening compound: 4-(4-isopropylphenoxy)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5067-0649
4-(4-isopropylphenoxy)-2-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

5067-0649

Molecular Formula

C20H22N2OS (C20 H22 N2 OS)

Compound Name

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

IUPAC name

5-methyl-3-[4-(propan-2-yl)phenoxy]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CC(C)c(cc1)ccc1Oc1c(c(CCCC2)c2s2)c2nc(C)n1

InChI

InChI=1S/C20H22N2OS/c1-12(2)14-8-10-15(11-9-14)23-19-18-16-6-4-5-7-17(16)24-20(18)22-13(3)21-19/h8-12H,4-7H2,1-3H3

InChI Key

PGQQQCZFKQIBMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03028078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.367

Distribution Coefficient, logD

6.367

Water Solubility, LogSw

-5.91

Polar Surface Area

26.953

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 5067-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5067-0649?
Check Price and Availability of 5067-0649, 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 5067-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5067-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5067-0649
  • 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 5067-0649 available by request