F815-0974 Screening compound: 2-[9-(tert-butyl)-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N~1~-(3-fluoro-4-methylphenyl)acetamide

F815-0974 Screening compound: 2-[9-(tert-butyl)-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N~1~-(3-fluoro-4-methylphenyl)acetamide
F815-0974 Screening compound: 2-[9-(tert-butyl)-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N~1~-(3-fluoro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F815-0974
2-[9-(tert-butyl)-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N~1~-(3-fluoro-4-methylphenyl)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

F815-0974

Molecular Formula

C24H26FN5O2S (C24 H26 FN5 O2 S)

Compound Name

2-[9-(tert-butyl)-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N~1~-(3-fluoro-4-methylphenyl)acetamide

IUPAC name

2-{13-tert-butyl-5-oxo-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)2711(16)-tetraen-4-yl}-N-(3-fluoro-4-methylphenyl)acetamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N1C=N3)=NN(CC(Nc4cc(F)c(C)cc4)=O)C1=O)c3s2

InChI

InChI=1S/C24H26FN5O2S/c1-13-5-7-15(10-17(13)25)27-19(31)11-30-23(32)29-12-26-22-20(21(29)28-30)16-8-6-14(24(2,3)4)9-18(16)33-22/h5,7,10,12,14H,6,8-9,11H2,1-4H3,(H,27,31)/t14-/m1/s1

InChI Key

FOTRODHMUULMJP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27194292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

5.426

Water Solubility, LogSw

-5.43

Polar Surface Area

64.660

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with F815-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F815-0974?
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What is the minimum amount of F815-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F815-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F815-0974
  • 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 F815-0974 available by request