3993-2120 Screening compound: ethyl 5-(2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

3993-2120 Screening compound: ethyl 5-(2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
3993-2120 Screening compound: ethyl 5-(2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-2120
ethyl 5-(2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

3993-2120

Molecular Formula

C27H27N3O5S2 (C27 H27 N3 O5 S2)

Compound Name

ethyl 5-(2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-(2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H4H-thieno[23-d]pyrimidin-2-yl]sulfanyl}acetyl)-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C(CSC(N2CC=C)=Nc(scc3-c(cc4)ccc4OC)c3C2=O)=O)c1C)=O

InChI

InChI=1S/C27H27N3O5S2/c1-6-12-30-25(32)22-19(17-8-10-18(34-5)11-9-17)13-36-24(22)29-27(30)37-14-20(31)23-15(3)21(16(4)28-23)26(33)35-7-2/h6,8-11,13,28H,1,7,12,14H2,2-5H3

InChI Key

HGTBJTQLGDBRJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02329164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.115

Distribution Coefficient, logD

5.115

Water Solubility, LogSw

-5.04

Polar Surface Area

78.178

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

3993-2120 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3993-2120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-2120?
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What is the minimum amount of 3993-2120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-2120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-2120
  • 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 3993-2120 available by request