C200-8506 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[4-(trifluoromethyl)benzyl]propanamide

C200-8506 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[4-(trifluoromethyl)benzyl]propanamide
C200-8506 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[4-(trifluoromethyl)benzyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8506
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[4-(trifluoromethyl)benzyl]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

C200-8506

Molecular Formula

C22H22F3N5O2S (C22 H22 F3 N5 O2 S)

Compound Name

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

IUPAC name

3-{8-butyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide

SMILES

CCCCN(c1nnc(CCC(NCc2ccc(C(F)(F)F)cc2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C22H22F3N5O2S/c1-2-3-11-29-20(32)19-16(10-12-33-19)30-17(27-28-21(29)30)8-9-18(31)26-13-14-4-6-15(7-5-14)22(23,24)25/h4-7,10,12H,2-3,8-9,11,13H2,1H3,(H,26,31)

InChI Key

VOPOVCZJCKLNKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-3.74

Polar Surface Area

65.446

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C200-8506 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-8506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8506?
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What is the minimum amount of C200-8506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8506
  • 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 C200-8506 available by request