F084-0031 Screening compound: N~1~-(2-methoxybenzyl)-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide

F084-0031 Screening compound: N~1~-(2-methoxybenzyl)-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
F084-0031 Screening compound: N~1~-(2-methoxybenzyl)-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 F084-0031
N~1~-(2-methoxybenzyl)-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

F084-0031

Molecular Formula

C19H19N5O3S (C19 H19 N5 O3 S)

Compound Name

N~1~-(2-methoxybenzyl)-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-methoxyphenyl)methyl]-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(NCc(cccc2)c2OC)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C19H19N5O3S/c1-23-18(26)17-13(9-10-28-17)24-15(21-22-19(23)24)7-8-16(25)20-11-12-5-3-4-6-14(12)27-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,25)

InChI Key

ZNCCOIJDJWOHJD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.494

Distribution Coefficient, logD

1.494

Water Solubility, LogSw

-2.24

Polar Surface Area

72.864

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with F084-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0031?
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What is the minimum amount of F084-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0031
  • 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 F084-0031 available by request