C258-0709 Screening compound: 2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(4-methoxyphenyl)acetamide

C258-0709 Screening compound: 2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(4-methoxyphenyl)acetamide
C258-0709 Screening compound: 2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0709
2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(4-methoxyphenyl)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

C258-0709

Molecular Formula

C25H21Cl2N3O4S (C25 H21 Cl2 N3 O4 S)

Compound Name

2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(4-methoxyphenyl)acetamide

IUPAC name

2-[4-(34-dichlorophenyl)-35-dioxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl]-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CN(c(sc1c2CCCC1)c2C(N1c(cc2)cc(Cl)c2Cl)=O)C1=O)=O

InChI

InChI=1S/C25H21Cl2N3O4S/c1-34-16-9-6-14(7-10-16)28-21(31)13-29-24-22(17-4-2-3-5-20(17)35-24)23(32)30(25(29)33)15-8-11-18(26)19(27)12-15/h6-12H,2-5,13H2,1H3,(H,28,31)

InChI Key

OWFPKLQZQSHIKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.43

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

5.784

Distribution Coefficient, logD

5.784

Water Solubility, LogSw

-6.29

Polar Surface Area

61.721

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C258-0709 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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 C258-0709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0709?
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What is the minimum amount of C258-0709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0709
  • 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 C258-0709 available by request