C258-0233 Screening compound: 2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~,N~1~-dipropylacetamide

C258-0233 Screening compound: 2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~,N~1~-dipropylacetamide
C258-0233 Screening compound: 2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~,N~1~-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0233
2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~,N~1~-dipropylacetamide

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

C258-0233

Molecular Formula

C25H31N3O4S (C25 H31 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC)C(CN(c(sc1c2CCCC1)c2C(N1c2cc(OC)ccc2)=O)C1=O)=O

InChI

InChI=1S/C25H31N3O4S/c1-4-13-26(14-5-2)21(29)16-27-24-22(19-11-6-7-12-20(19)33-24)23(30)28(25(27)31)17-9-8-10-18(15-17)32-3/h8-10,15H,4-7,11-14,16H2,1-3H3

InChI Key

XXVSBXCBBOUVLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.334

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.47

Polar Surface Area

54.755

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C258-0233 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C258-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0233?
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What is the minimum amount of C258-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0233
  • 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 C258-0233 available by request