C258-0313 Screening compound: benzyl 2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetate

C258-0313 Screening compound: benzyl 2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
C258-0313 Screening compound: benzyl 2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0313
benzyl 2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetate

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

C258-0313

Molecular Formula

C26H24N2O5S (C26 H24 N2 O5 S)

Compound Name

benzyl 2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetate

IUPAC name

benzyl 2-[4-(3-methoxyphenyl)-35-dioxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl]acetate

SMILES

COc1cccc(N(C(c2c(N3CC(OCc4ccccc4)=O)sc4c2CCCC4)=O)C3=O)c1

InChI

InChI=1S/C26H24N2O5S/c1-32-19-11-7-10-18(14-19)28-24(30)23-20-12-5-6-13-21(20)34-25(23)27(26(28)31)15-22(29)33-16-17-8-3-2-4-9-17/h2-4,7-11,14H,5-6,12-13,15-16H2,1H3

InChI Key

HICZFEWWTMUGKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-5.02

Polar Surface Area

59.106

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

-9.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C258-0313 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C258-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0313?
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What is the minimum amount of C258-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0313
  • 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 C258-0313 available by request