3334-5655 Screening compound: 4-({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-N-(2-hydroxyethyl)benzamide

3334-5655 Screening compound: 4-({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-N-(2-hydroxyethyl)benzamide
3334-5655 Screening compound: 4-({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-N-(2-hydroxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-5655
4-({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-N-(2-hydroxyethyl)benzamide

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

3334-5655

Molecular Formula

C21H23N3O3S2 (C21 H23 N3 O3 S2)

Compound Name

4-({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-N-(2-hydroxyethyl)benzamide

IUPAC name

4-({[56-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H4H-thieno[23-d]pyrimidin-2-yl]sulfanyl}methyl)-N-(2-hydroxyethyl)benzamide

SMILES

Cc1c(C)sc(N=C(N2CC=C)SCc(cc3)ccc3C(NCCO)=O)c1C2=O

InChI

InChI=1S/C21H23N3O3S2/c1-4-10-24-20(27)17-13(2)14(3)29-19(17)23-21(24)28-12-15-5-7-16(8-6-15)18(26)22-9-11-25/h4-8,25H,1,9-12H2,2-3H3,(H,22,26)

InChI Key

TXXCZCPMQLKDCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01951296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

2.531

Water Solubility, LogSw

-2.58

Polar Surface Area

67.105

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3334-5655 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3334-5655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-5655?
Check Price and Availability of 3334-5655, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3334-5655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-5655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-5655
  • 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 3334-5655 available by request