C258-0493 Screening compound: 3-{[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]methyl}-4-methoxybenzaldehyde

C258-0493 Screening compound: 3-{[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]methyl}-4-methoxybenzaldehyde
C258-0493 Screening compound: 3-{[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]methyl}-4-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0493
3-{[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]methyl}-4-methoxybenzaldehyde

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

C258-0493

Molecular Formula

C26H24N2O6S (C26 H24 N2 O6 S)

Compound Name

3-{[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]methyl}-4-methoxybenzaldehyde

IUPAC name

3-{[11-(24-dimethoxyphenyl)-1012-dioxo-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)-dien-9-yl]methyl}-4-methoxybenzaldehyde

SMILES

COc(cc1)cc(OC)c1N(C(c1c(N2Cc(cc(C=O)cc3)c3OC)sc3c1CCC3)=O)C2=O

InChI

InChI=1S/C26H24N2O6S/c1-32-17-8-9-19(21(12-17)34-3)28-24(30)23-18-5-4-6-22(18)35-25(23)27(26(28)31)13-16-11-15(14-29)7-10-20(16)33-2/h7-12,14H,4-6,13H2,1-3H3

InChI Key

CMMSTZPBZMDOIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.59

Polar Surface Area

68.056

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

-7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C258-0493 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C258-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0493?
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What is the minimum amount of C258-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0493
  • 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 C258-0493 available by request