C241-1419 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)butanamide

C241-1419 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)butanamide
C241-1419 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1419
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)butanamide

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

C241-1419

Molecular Formula

C27H26N4O6S (C27 H26 N4 O6 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-(1-{[(2-methylphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)butanamide

SMILES

Cc(cccc1)c1NC(CN(c1c(C(N2CCCC(NCc(cc3)cc4c3OCO4)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C27H26N4O6S/c1-17-5-2-3-6-19(17)29-24(33)15-31-20-10-12-38-25(20)26(34)30(27(31)35)11-4-7-23(32)28-14-18-8-9-21-22(13-18)37-16-36-21/h2-3,5-6,8-10,12-13H,4,7,11,14-16H2,1H3,(H,28,32)(H,29,33)

InChI Key

MMDSBVDZOQVSFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.671

Water Solubility, LogSw

-3.03

Polar Surface Area

96.302

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C241-1419 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 C241-1419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1419?
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What is the minimum amount of C241-1419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1419
  • 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 C241-1419 available by request