C241-2039 Screening compound: 6-(1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide

C241-2039 Screening compound: 6-(1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide
C241-2039 Screening compound: 6-(1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-2039
6-(1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide

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

C241-2039

Molecular Formula

C29H31FN4O4S (C29 H31 FN4 O4 S)

Compound Name

6-(1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide

IUPAC name

6-(1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide

SMILES

Cc1ccc(CNC(CCCCCN(C(c(scc2)c2N2CC(Nc3cc(F)c(C)cc3)=O)=O)C2=O)=O)cc1

InChI

InChI=1S/C29H31FN4O4S/c1-19-7-10-21(11-8-19)17-31-25(35)6-4-3-5-14-33-28(37)27-24(13-15-39-27)34(29(33)38)18-26(36)32-22-12-9-20(2)23(30)16-22/h7-13,15-16H,3-6,14,17-18H2,1-2H3,(H,31,35)(H,32,36)

InChI Key

OGLZESXBFPHDFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-4.55

Polar Surface Area

79.884

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C241-2039 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Regenerative Medicine Focused Library (23016 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:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C241-2039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2039?
Check Price and Availability of C241-2039, 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 C241-2039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2039
  • 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 C241-2039 available by request