C258-0682 Screening compound: 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(2,4-difluorophenyl)acetamide

C258-0682 Screening compound: 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(2,4-difluorophenyl)acetamide
C258-0682 Screening compound: 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(2,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0682
2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(2,4-difluorophenyl)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

C258-0682

Molecular Formula

C24H18ClF2N3O3S (C24 H18 ClF2 N3 O3 S)

Compound Name

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

IUPAC name

2-[4-(4-chlorophenyl)-35-dioxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl]-N-(24-difluorophenyl)acetamide

SMILES

O=C(CN(c(sc1c2CCCC1)c2C(N1c(cc2)ccc2Cl)=O)C1=O)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C24H18ClF2N3O3S/c25-13-5-8-15(9-6-13)30-22(32)21-16-3-1-2-4-19(16)34-23(21)29(24(30)33)12-20(31)28-18-10-7-14(26)11-17(18)27/h5-11H,1-4,12H2,(H,28,31)

InChI Key

NXQPNABUGYWLIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.94

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

4.973

Distribution Coefficient, logD

4.968

Water Solubility, LogSw

-5.42

Polar Surface Area

53.479

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C258-0682 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C258-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0682?
Check Price and Availability of C258-0682, 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 C258-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0682
  • 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 C258-0682 available by request