C200-3941 Screening compound: 7-acetyl-3-(4-ethoxyphenyl)-2-(pentylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

C200-3941 Screening compound: 7-acetyl-3-(4-ethoxyphenyl)-2-(pentylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
C200-3941 Screening compound: 7-acetyl-3-(4-ethoxyphenyl)-2-(pentylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3941
7-acetyl-3-(4-ethoxyphenyl)-2-(pentylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

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

C200-3941

Molecular Formula

C24H29N3O3S2 (C24 H29 N3 O3 S2)

Compound Name

7-acetyl-3-(4-ethoxyphenyl)-2-(pentylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

11-acetyl-4-(4-ethoxyphenyl)-5-(pentylsulfanyl)-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CCCCCSC(N1c(cc2)ccc2OCC)=Nc(sc(C2)c3CCN2C(C)=O)c3C1=O

InChI

InChI=1S/C24H29N3O3S2/c1-4-6-7-14-31-24-25-22-21(19-12-13-26(16(3)28)15-20(19)32-22)23(29)27(24)17-8-10-18(11-9-17)30-5-2/h8-11H,4-7,12-15H2,1-3H3

InChI Key

JPRAQEGSBOVNCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.199

Distribution Coefficient, logD

5.199

Water Solubility, LogSw

-4.93

Polar Surface Area

49.507

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with C200-3941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3941?
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What is the minimum amount of C200-3941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3941
  • 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 C200-3941 available by request