C694-0022 Screening compound: ethyl 3-(4-fluorophenyl)-2,4-dioxo-1-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

C694-0022 Screening compound: ethyl 3-(4-fluorophenyl)-2,4-dioxo-1-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
C694-0022 Screening compound: ethyl 3-(4-fluorophenyl)-2,4-dioxo-1-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C694-0022
ethyl 3-(4-fluorophenyl)-2,4-dioxo-1-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

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

C694-0022

Molecular Formula

C25H27FN4O6S (C25 H27 FN4 O6 S)

Compound Name

ethyl 3-(4-fluorophenyl)-2,4-dioxo-1-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

IUPAC name

ethyl 4-(4-fluorophenyl)-35-dioxo-6-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-11-carboxylate

SMILES

CCOC(N(CC1)Cc2c1c(C(N(c(cc1)ccc1F)C(N1CC(NCC3OCCC3)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C25H27FN4O6S/c1-2-35-25(34)28-10-9-18-19(13-28)37-23-21(18)22(32)30(16-7-5-15(26)6-8-16)24(33)29(23)14-20(31)27-12-17-4-3-11-36-17/h5-8,17H,2-4,9-14H2,1H3,(H,27,31)/t17-/m1/s1

InChI Key

YKIALMRCIIELDL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14783315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.939

Distribution Coefficient, logD

1.939

Water Solubility, LogSw

-2.59

Polar Surface Area

86.867

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C694-0022 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C694-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C694-0022?
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What is the minimum amount of C694-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C694-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C694-0022
  • 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 C694-0022 available by request