C258-0514 Screening compound: 1-(3,3-dimethyl-2-oxobutyl)-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

C258-0514 Screening compound: 1-(3,3-dimethyl-2-oxobutyl)-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
C258-0514 Screening compound: 1-(3,3-dimethyl-2-oxobutyl)-3-(3,4-dimethylphenyl)-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 C258-0514
1-(3,3-dimethyl-2-oxobutyl)-3-(3,4-dimethylphenyl)-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

C258-0514

Molecular Formula

C25H30N2O3S (C25 H30 N2 O3 S)

Compound Name

1-(3,3-dimethyl-2-oxobutyl)-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

6-(33-dimethyl-2-oxobutyl)-4-(34-dimethylphenyl)-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)-diene-35-dione

SMILES

CC(C)(C)C(CN(c(sc1c2CCCCC1)c2C(N1c2cc(C)c(C)cc2)=O)C1=O)=O

InChI

InChI=1S/C25H30N2O3S/c1-15-11-12-17(13-16(15)2)27-22(29)21-18-9-7-6-8-10-19(18)31-23(21)26(24(27)30)14-20(28)25(3,4)5/h11-13H,6-10,14H2,1-5H3

InChI Key

SCSVQVMZUDIOJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.006

Distribution Coefficient, logD

6.006

Water Solubility, LogSw

-5.34

Polar Surface Area

44.877

Acid Dissociation Constant (pKa)

20.17

Base Dissociation Constant (pKb)

-8.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C258-0514 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C258-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0514?
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What is the minimum amount of C258-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0514
  • 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 C258-0514 available by request