C728-0827 Screening compound: 7-acetyl-1-butyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

C728-0827 Screening compound: 7-acetyl-1-butyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
C728-0827 Screening compound: 7-acetyl-1-butyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C728-0827
7-acetyl-1-butyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

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

C728-0827

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

7-acetyl-1-butyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

11-acetyl-6-butyl-4-(4-methoxyphenyl)-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CCCCN(c(sc(C1)c2CCN1C(C)=O)c2C(N1c(cc2)ccc2OC)=O)C1=O

InChI

InChI=1S/C22H25N3O4S/c1-4-5-11-24-21-19(17-10-12-23(14(2)26)13-18(17)30-21)20(27)25(22(24)28)15-6-8-16(29-3)9-7-15/h6-9H,4-5,10-13H2,1-3H3

InChI Key

PMNASYFNKHTFRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.38

Polar Surface Area

55.950

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with C728-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C728-0827?
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What is the minimum amount of C728-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C728-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C728-0827
  • 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 C728-0827 available by request