C258-0622 Screening compound: N~1~-(3-chlorophenyl)-2-[2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide

C258-0622 Screening compound: N~1~-(3-chlorophenyl)-2-[2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
C258-0622 Screening compound: N~1~-(3-chlorophenyl)-2-[2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0622
N~1~-(3-chlorophenyl)-2-[2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-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

C258-0622

Molecular Formula

C24H20ClN3O3S (C24 H20 ClN3 O3 S)

Compound Name

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

IUPAC name

N-(3-chlorophenyl)-2-{35-dioxo-4-phenyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl}acetamide

SMILES

O=C(CN(c(sc1c2CCCC1)c2C(N1c2ccccc2)=O)C1=O)Nc1cccc(Cl)c1

InChI

InChI=1S/C24H20ClN3O3S/c25-15-7-6-8-16(13-15)26-20(29)14-27-23-21(18-11-4-5-12-19(18)32-23)22(30)28(24(27)31)17-9-2-1-3-10-17/h1-3,6-10,13H,4-5,11-12,14H2,(H,26,29)

InChI Key

ZIRYKPMCTSZMFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.96

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

5.095

Distribution Coefficient, logD

5.094

Water Solubility, LogSw

-5.58

Polar Surface Area

54.177

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C258-0622 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C258-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0622?
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What is the minimum amount of C258-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0622
  • 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 C258-0622 available by request