F815-0853 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-[9-methyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

F815-0853 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-[9-methyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
F815-0853 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-[9-methyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F815-0853
N~1~-(2,5-dimethoxyphenyl)-2-[9-methyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

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

F815-0853

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

N~1~-(2,5-dimethoxyphenyl)-2-[9-methyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

IUPAC name

N-(25-dimethoxyphenyl)-2-{13-methyl-5-oxo-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)2711(16)-tetraen-4-yl}acetamide

SMILES

CC(CC1)Cc2c1c(C(N1C=N3)=NN(CC(Nc(cc(cc4)OC)c4OC)=O)C1=O)c3s2

InChI

InChI=1S/C22H23N5O4S/c1-12-4-6-14-17(8-12)32-21-19(14)20-25-27(22(29)26(20)11-23-21)10-18(28)24-15-9-13(30-2)5-7-16(15)31-3/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,24,28)/t12-/m1/s1

InChI Key

DGQLYRNJPWFIJH-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27194260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.336

Distribution Coefficient, logD

3.336

Water Solubility, LogSw

-3.78

Polar Surface Area

79.136

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with F815-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F815-0853?
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What is the minimum amount of F815-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F815-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F815-0853
  • 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 F815-0853 available by request