4789-3975 Screening compound: pentyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate

4789-3975 Screening compound: pentyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
4789-3975 Screening compound: pentyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3975
pentyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate

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

4789-3975

Molecular Formula

C18H24N2O2S2 (C18 H24 N2 O2 S2)

Compound Name

pentyl 2-[(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate

IUPAC name

pentyl 2-({11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}sulfanyl)acetate

SMILES

CCCCCOC(CSc1c(c(CCC(C)C2)c2s2)c2ncn1)=O

InChI

InChI=1S/C18H24N2O2S2/c1-3-4-5-8-22-15(21)10-23-17-16-13-7-6-12(2)9-14(13)24-18(16)20-11-19-17/h11-12H,3-10H2,1-2H3/t12-/m1/s1

InChI Key

FBNDLBQJAGZOCQ-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD02968199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.495

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.30

Polar Surface Area

41.658

Acid Dissociation Constant (pKa)

18.92

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

4789-3975 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4789-3975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3975?
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What is the minimum amount of 4789-3975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3975
  • 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 4789-3975 available by request