C728-0030 Screening compound: 2-{[7-acetyl-3-(4-fluorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile

C728-0030 Screening compound: 2-{[7-acetyl-3-(4-fluorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
C728-0030 Screening compound: 2-{[7-acetyl-3-(4-fluorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C728-0030
2-{[7-acetyl-3-(4-fluorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile

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

C728-0030

Molecular Formula

C25H19FN4O3S (C25 H19 FN4 O3 S)

Compound Name

2-{[7-acetyl-3-(4-fluorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile

IUPAC name

2-{[11-acetyl-4-(4-fluorophenyl)-35-dioxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl]methyl}benzonitrile

SMILES

CC(N(CC1)Cc2c1c(C(N(c(cc1)ccc1F)C(N1Cc(cccc3)c3C#N)=O)=O)c1s2)=O

InChI

InChI=1S/C25H19FN4O3S/c1-15(31)28-11-10-20-21(14-28)34-24-22(20)23(32)30(19-8-6-18(26)7-9-19)25(33)29(24)13-17-5-3-2-4-16(17)12-27/h2-9H,10-11,13-14H2,1H3

InChI Key

SSDYAMOLSNZOIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

3.236

Water Solubility, LogSw

-3.59

Polar Surface Area

65.213

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C728-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C728-0030?
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What is the minimum amount of C728-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C728-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C728-0030
  • 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 C728-0030 available by request