3347-3666 Screening compound: ethyl 4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate

3347-3666 Screening compound: ethyl 4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate
3347-3666 Screening compound: ethyl 4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-3666
ethyl 4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate

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

3347-3666

Molecular Formula

C16H19N3O3S2 (C16 H19 N3 O3 S2)

Compound Name

ethyl 4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-3-oxobutanoate

IUPAC name

ethyl 4-({3-amino-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-5-yl}sulfanyl)-3-oxobutanoate

SMILES

CCOC(CC(CSc1nc(N)c(c(CCCC2)c2s2)c2n1)=O)=O

InChI

InChI=1S/C16H19N3O3S2/c1-2-22-12(21)7-9(20)8-23-16-18-14(17)13-10-5-3-4-6-11(10)24-15(13)19-16/h2-8H2,1H3,(H2,17,18,19)

InChI Key

ZZODTMLMVRMIIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02659937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

3.039

Water Solubility, LogSw

-3.27

Polar Surface Area

72.168

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3347-3666 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 3347-3666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3347-3666?
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What is the minimum amount of 3347-3666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-3666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-3666
  • 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 3347-3666 available by request