F815-0951 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~-(4-ethoxyphenyl)acetamide

F815-0951 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~-(4-ethoxyphenyl)acetamide
F815-0951 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~-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F815-0951
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~-(4-ethoxyphenyl)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

F815-0951

Molecular Formula

C25H29N5O3S (C25 H29 N5 O3 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~-(4-ethoxyphenyl)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-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CN1N=C(c2c(N=C3)sc(C4)c2CCC4C(C)(C)C)N3C1=O)=O

InChI

InChI=1S/C25H29N5O3S/c1-5-33-17-9-7-16(8-10-17)27-20(31)13-30-24(32)29-14-26-23-21(22(29)28-30)18-11-6-15(25(2,3)4)12-19(18)34-23/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,27,31)/t15-/m1/s1

InChI Key

BATWEICYRJSSOZ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27194286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

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

5.145

Distribution Coefficient, logD

5.145

Water Solubility, LogSw

-5.03

Polar Surface Area

71.783

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

F815-0951 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F815-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F815-0951?
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What is the minimum amount of F815-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F815-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F815-0951
  • 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 F815-0951 available by request