3807-0914 Screening compound: 3-benzyl-7-(tert-butyl)-2-[(2-methylallyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3807-0914 Screening compound: 3-benzyl-7-(tert-butyl)-2-[(2-methylallyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3807-0914 Screening compound: 3-benzyl-7-(tert-butyl)-2-[(2-methylallyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-0914
3-benzyl-7-(tert-butyl)-2-[(2-methylallyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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

3807-0914

Molecular Formula

C25H30N2OS2 (C25 H30 N2 OS2)

Compound Name

3-benzyl-7-(tert-butyl)-2-[(2-methylallyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-benzyl-11-tert-butyl-5-[(2-methylprop-2-en-1-yl)sulfanyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N(Cc1ccccc1)C(SCC(C)=C)=N1)=O)c1s2

InChI

InChI=1S/C25H30N2OS2/c1-16(2)15-29-24-26-22-21(23(28)27(24)14-17-9-7-6-8-10-17)19-12-11-18(25(3,4)5)13-20(19)30-22/h6-10,18H,1,11-15H2,2-5H3/t18-/m1/s1

InChI Key

YAMQBWHQAPQMQQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01877044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.331

Distribution Coefficient, logD

7.331

Water Solubility, LogSw

-5.69

Polar Surface Area

25.865

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

3807-0914 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3807-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-0914?
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What is the minimum amount of 3807-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-0914
  • 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 3807-0914 available by request