F084-0035 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide

F084-0035 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
F084-0035 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0035
N~1~-(3,4-dimethoxyphenethyl)-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide

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

F084-0035

Molecular Formula

C21H23N5O4S (C21 H23 N5 O4 S)

Compound Name

N~1~-(3,4-dimethoxyphenethyl)-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-{8-methyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}propanamide

SMILES

CN(c1nnc(CCC(NCCc(cc2)cc(OC)c2OC)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C21H23N5O4S/c1-25-20(28)19-14(9-11-31-19)26-17(23-24-21(25)26)6-7-18(27)22-10-8-13-4-5-15(29-2)16(12-13)30-3/h4-5,9,11-12H,6-8,10H2,1-3H3,(H,22,27)

InChI Key

VZCWUEGFONOIEO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.564

Distribution Coefficient, logD

0.564

Water Solubility, LogSw

-2.30

Polar Surface Area

80.336

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with F084-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0035?
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What is the minimum amount of F084-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0035
  • 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 F084-0035 available by request