C242-0440 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(3-methoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide

C242-0440 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(3-methoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide
C242-0440 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(3-methoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0440
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(3-methoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]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

C242-0440

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(3-methoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(3-methoxyphenyl)-56-dimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl]acetamide

SMILES

Cc1c(C)sc(N(CC(NCCC2=CCCCC2)=O)C(N2c3cc(OC)ccc3)=O)c1C2=O

InChI

InChI=1S/C25H29N3O4S/c1-16-17(2)33-24-22(16)23(30)28(19-10-7-11-20(14-19)32-3)25(31)27(24)15-21(29)26-13-12-18-8-5-4-6-9-18/h7-8,10-11,14H,4-6,9,12-13,15H2,1-3H3,(H,26,29)

InChI Key

HKHWOCHIORPSBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.14

Polar Surface Area

63.156

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C242-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-0440?
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What is the minimum amount of C242-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0440
  • 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 C242-0440 available by request