3993-2712 Screening compound: 4-(4-benzylphenoxy)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

3993-2712 Screening compound: 4-(4-benzylphenoxy)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
3993-2712 Screening compound: 4-(4-benzylphenoxy)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-2712
4-(4-benzylphenoxy)-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

3993-2712

Molecular Formula

C24H22N2OS (C24 H22 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(Oc2ccc(Cc3ccccc3)cc2)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C24H22N2OS/c1-16-25-23(22-20-9-5-6-10-21(20)28-24(22)26-16)27-19-13-11-18(12-14-19)15-17-7-3-2-4-8-17/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3

InChI Key

YHJIMLOIOGWVHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02329687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.701

Distribution Coefficient, logD

6.701

Water Solubility, LogSw

-6.10

Polar Surface Area

26.681

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3993-2712 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3993-2712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-2712?
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What is the minimum amount of 3993-2712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-2712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-2712
  • 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 3993-2712 available by request