C200-5057 Screening compound: 2,5-dimethylphenyl {5-[4-(2-fluorophenyl)piperazino]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-3-yl} sulfone

C200-5057 Screening compound: 2,5-dimethylphenyl {5-[4-(2-fluorophenyl)piperazino]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-3-yl} sulfone
C200-5057 Screening compound: 2,5-dimethylphenyl {5-[4-(2-fluorophenyl)piperazino]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-3-yl} sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5057
2,5-dimethylphenyl {5-[4-(2-fluorophenyl)piperazino]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-3-yl} sulfone

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

C200-5057

Molecular Formula

C25H23FN6O2S2 (C25 H23 FN6 O2 S2)

Compound Name

2,5-dimethylphenyl {5-[4-(2-fluorophenyl)piperazino]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-3-yl} sulfone

IUPAC name

10-(25-dimethylbenzenesulfonyl)-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

Cc1cc(S(c(nnn2c3c4scc3)c2nc4N(CC2)CCN2c(cccc2)c2F)(=O)=O)c(C)cc1

InChI

InChI=1S/C25H23FN6O2S2/c1-16-7-8-17(2)21(15-16)36(33,34)25-24-27-23(22-20(9-14-35-22)32(24)29-28-25)31-12-10-30(11-13-31)19-6-4-3-5-18(19)26/h3-9,14-15H,10-13H2,1-2H3

InChI Key

JVLFGETYNNXVFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.530

Distribution Coefficient, logD

5.530

Water Solubility, LogSw

-5.49

Polar Surface Area

69.106

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C200-5057 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-5057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5057?
Check Price and Availability of C200-5057, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-5057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5057
  • 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 C200-5057 available by request