C258-0489 Screening compound: 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N~1~,N~1~-dipropylacetamide

C258-0489 Screening compound: 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N~1~,N~1~-dipropylacetamide
C258-0489 Screening compound: 2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N~1~,N~1~-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C258-0489
2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-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

C258-0489

Molecular Formula

C25H31N3O5S (C25 H31 N3 O5 S)

Compound Name

2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N~1~,N~1~-dipropylacetamide

IUPAC name

2-[11-(24-dimethoxyphenyl)-1012-dioxo-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)-dien-9-yl]-NN-dipropylacetamide

SMILES

CCCN(CCC)C(CN(c(sc1c2CCC1)c2C(N1c(ccc(OC)c2)c2OC)=O)C1=O)=O

InChI

InChI=1S/C25H31N3O5S/c1-5-12-26(13-6-2)21(29)15-27-24-22(17-8-7-9-20(17)34-24)23(30)28(25(27)31)18-11-10-16(32-3)14-19(18)33-4/h10-11,14H,5-9,12-13,15H2,1-4H3

InChI Key

MCQJJUIRLRNPTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.962

Water Solubility, LogSw

-4.36

Polar Surface Area

62.450

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C258-0489 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C258-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0489?
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What is the minimum amount of C258-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0489
  • 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 C258-0489 available by request