3993-1983 Screening compound: N~1~-phenethyl-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

3993-1983 Screening compound: N~1~-phenethyl-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
3993-1983 Screening compound: N~1~-phenethyl-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-1983
N~1~-phenethyl-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

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

3993-1983

Molecular Formula

C20H21N3OS2 (C20 H21 N3 OS2)

Compound Name

N~1~-phenethyl-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

IUPAC name

N-(2-phenylethyl)-2-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-ylsulfanyl}acetamide

SMILES

O=C(CSc1c(c(CCCC2)c2s2)c2ncn1)NCCc1ccccc1

InChI

InChI=1S/C20H21N3OS2/c24-17(21-11-10-14-6-2-1-3-7-14)12-25-19-18-15-8-4-5-9-16(15)26-20(18)23-13-22-19/h1-3,6-7,13H,4-5,8-12H2,(H,21,24)

InChI Key

BWGNMECZLGKQRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02324588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.884

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-4.29

Polar Surface Area

45.247

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

3993-1983 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3993-1983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-1983?
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What is the minimum amount of 3993-1983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-1983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-1983
  • 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 3993-1983 available by request