C258-0573 Screening compound: N~1~-(3-chlorophenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide

C258-0573 Screening compound: N~1~-(3-chlorophenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
C258-0573 Screening compound: N~1~-(3-chlorophenyl)-2-[3-(4-chlorophenyl)-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 C258-0573
N~1~-(3-chlorophenyl)-2-[3-(4-chlorophenyl)-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

C258-0573

Molecular Formula

C25H21Cl2N3O3S (C25 H21 Cl2 N3 O3 S)

Compound Name

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

SMILES

O=C(CN(c(sc1c2CCCCC1)c2C(N1c(cc2)ccc2Cl)=O)C1=O)Nc1cccc(Cl)c1

InChI

InChI=1S/C25H21Cl2N3O3S/c26-15-9-11-18(12-10-15)30-23(32)22-19-7-2-1-3-8-20(19)34-24(22)29(25(30)33)14-21(31)28-17-6-4-5-16(27)13-17/h4-6,9-13H,1-3,7-8,14H2,(H,28,31)

InChI Key

KEKDLACWRMOFKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.307

Distribution Coefficient, logD

6.307

Water Solubility, LogSw

-6.50

Polar Surface Area

54.508

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C258-0573 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C258-0573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0573?
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What is the minimum amount of C258-0573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0573
  • 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 C258-0573 available by request