C258-0528 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide

C258-0528 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
C258-0528 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0528
N~1~-(3-chloro-4-methoxyphenyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide

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

C258-0528

Molecular Formula

C28H28ClN3O4S (C28 H28 ClN3 O4 S)

Compound Name

N~1~-(3-chloro-4-methoxyphenyl)-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-[4-(34-dimethylphenyl)-35-dioxo-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)-dien-6-yl]acetamide

SMILES

Cc(cc1)c(C)cc1N(C(c1c(N2CC(Nc(cc3)cc(Cl)c3OC)=O)sc3c1CCCCC3)=O)C2=O

InChI

InChI=1S/C28H28ClN3O4S/c1-16-9-11-19(13-17(16)2)32-26(34)25-20-7-5-4-6-8-23(20)37-27(25)31(28(32)35)15-24(33)30-18-10-12-22(36-3)21(29)14-18/h9-14H,4-8,15H2,1-3H3,(H,30,33)

InChI Key

BITHOZMTBPGJDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.602

Distribution Coefficient, logD

6.601

Water Solubility, LogSw

-6.47

Polar Surface Area

62.138

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C258-0528 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C258-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0528?
Check Price and Availability of C258-0528, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C258-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0528
  • 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 C258-0528 available by request