C258-0527 Screening compound: 3-(3,4-dimethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

C258-0527 Screening compound: 3-(3,4-dimethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
C258-0527 Screening compound: 3-(3,4-dimethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0527
3-(3,4-dimethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

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

C258-0527

Molecular Formula

C29H28N4O3S (C29 H28 N4 O3 S)

Compound Name

3-(3,4-dimethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

4-(34-dimethylphenyl)-6-({6-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)-diene-35-dione

SMILES

Cc(cc1)c(C)cc1N(C(c1c(N2CC(N=C3N4C(C)=CC=C3)=CC4=O)sc3c1CCCCC3)=O)C2=O

InChI

InChI=1S/C29H28N4O3S/c1-17-12-13-21(14-18(17)2)33-27(35)26-22-9-5-4-6-10-23(22)37-28(26)31(29(33)36)16-20-15-25(34)32-19(3)8-7-11-24(32)30-20/h7-8,11-15H,4-6,9-10,16H2,1-3H3

InChI Key

GLRXOHUTNXPUSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.261

Distribution Coefficient, logD

5.261

Water Solubility, LogSw

-5.05

Polar Surface Area

57.010

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C258-0527 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C258-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0527?
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What is the minimum amount of C258-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0527
  • 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 C258-0527 available by request