C241-1337 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

C241-1337 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide
C241-1337 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1337
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

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

C241-1337

Molecular Formula

C26H23ClN4O6S (C26 H23 ClN4 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)propanamide

SMILES

Cc(ccc(Cl)c1)c1NC(CN(c1c(C(N2CCC(NCc(cc3)cc4c3OCO4)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C26H23ClN4O6S/c1-15-2-4-17(27)11-18(15)29-23(33)13-31-19-7-9-38-24(19)25(34)30(26(31)35)8-6-22(32)28-12-16-3-5-20-21(10-16)37-14-36-20/h2-5,7,9-11H,6,8,12-14H2,1H3,(H,28,32)(H,29,33)

InChI Key

XOBTTXVMEDVVDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-3.95

Polar Surface Area

96.302

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C241-1337 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 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:
  • Cancer

References: we are preparing a list of scientific research reports with C241-1337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1337?
Check Price and Availability of C241-1337, 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 C241-1337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1337
  • 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 C241-1337 available by request