C258-0501 Screening compound: 2-[3-(4-ethylphenyl)-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

C258-0501 Screening compound: 2-[3-(4-ethylphenyl)-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
C258-0501 Screening compound: 2-[3-(4-ethylphenyl)-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 C258-0501
2-[3-(4-ethylphenyl)-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

C258-0501

Molecular Formula

C25H31N3O3S (C25 H31 N3 O3 S)

Compound Name

2-[3-(4-ethylphenyl)-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-(4-ethylphenyl)-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(N1c2ccc(CC)cc2)=O)C1=O)=O

InChI

InChI=1S/C25H31N3O3S/c1-4-14-26(15-5-2)21(29)16-27-24-22(19-8-7-9-20(19)32-24)23(30)28(25(27)31)18-12-10-17(6-3)11-13-18/h10-13H,4-9,14-16H2,1-3H3

InChI Key

IWYRHKBDFXJTHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-4.45

Polar Surface Area

47.577

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C258-0501 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C258-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C258-0501?
Check Price and Availability of C258-0501, 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 C258-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C258-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C258-0501
  • 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 C258-0501 available by request