4408-0037 Screening compound: 2-{[6-ethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide

4408-0037 Screening compound: 2-{[6-ethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
4408-0037 Screening compound: 2-{[6-ethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4408-0037
2-{[6-ethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide

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

4408-0037

Molecular Formula

C19H19N3O2S2 (C19 H19 N3 O2 S2)

Compound Name

2-{[6-ethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[6-ethyl-4-oxo-3-(prop-2-en-1-yl)-3H4H-thieno[23-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide

SMILES

CCc1cc(C(N(CC=C)C(SCC(Nc2ccccc2)=O)=N2)=O)c2s1

InChI

InChI=1S/C19H19N3O2S2/c1-3-10-22-18(24)15-11-14(4-2)26-17(15)21-19(22)25-12-16(23)20-13-8-6-5-7-9-13/h3,5-9,11H,1,4,10,12H2,2H3,(H,20,23)

InChI Key

FSKFYAHIEGCGTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02924620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.943

Water Solubility, LogSw

-3.90

Polar Surface Area

49.073

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4408-0037 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4408-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4408-0037?
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What is the minimum amount of 4408-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4408-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4408-0037
  • 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 4408-0037 available by request