C241-1304 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

C241-1304 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide
C241-1304 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-methylphenyl)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 C241-1304
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-methylphenyl)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

C241-1304

Molecular Formula

C25H23N3O5S (C25 H23 N3 O5 S)

Compound Name

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

SMILES

Cc1c(CN(c2c(C(N3CCC(NCc(cc4)cc5c4OCO5)=O)=O)scc2)C3=O)cccc1

InChI

InChI=1S/C25H23N3O5S/c1-16-4-2-3-5-18(16)14-28-19-9-11-34-23(19)24(30)27(25(28)31)10-8-22(29)26-13-17-6-7-20-21(12-17)33-15-32-20/h2-7,9,11-12H,8,10,13-15H2,1H3,(H,26,29)

InChI Key

JPLITQVYQCGONM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

4.342

Water Solubility, LogSw

-4.18

Polar Surface Area

73.851

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C241-1304 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C241-1304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1304?
Check Price and Availability of C241-1304, 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 C241-1304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1304
  • 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 C241-1304 available by request