C241-1363 Screening compound: 4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]butanamide

C241-1363 Screening compound: 4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]butanamide
C241-1363 Screening compound: 4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1363
4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]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

C241-1363

Molecular Formula

C26H24N4O3S (C26 H24 N4 O3 S)

Compound Name

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

IUPAC name

4-{1-[(2-cyanophenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]butanamide

SMILES

Cc1ccc(CNC(CCCN(C(c(scc2)c2N2Cc(cccc3)c3C#N)=O)C2=O)=O)cc1

InChI

InChI=1S/C26H24N4O3S/c1-18-8-10-19(11-9-18)16-28-23(31)7-4-13-29-25(32)24-22(12-14-34-24)30(26(29)33)17-21-6-3-2-5-20(21)15-27/h2-3,5-6,8-12,14H,4,7,13,16-17H2,1H3,(H,28,31)

InChI Key

WKWITWKJNIVRRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-3.84

Polar Surface Area

73.791

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C241-1363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1363?
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What is the minimum amount of C241-1363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1363
  • 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 C241-1363 available by request