C200-9201 Screening compound: 2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide

C200-9201 Screening compound: 2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide
C200-9201 Screening compound: 2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9201
2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]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

C200-9201

Molecular Formula

C21H14F3N5O3S2 (C21 H14 F3 N5 O3 S2)

Compound Name

2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{712-dioxo-8-[(thiophen-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(C(N1c2c3scc2)=O)N=C1N(Cc1cccs1)C3=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C21H14F3N5O3S2/c22-21(23,24)13-5-1-2-6-14(13)25-16(30)11-28-20(32)29-15-7-9-34-17(15)18(31)27(19(29)26-28)10-12-4-3-8-33-12/h1-9H,10-11H2,(H,25,30)

InChI Key

CYSOZKNAYNZLGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.5

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

3.799

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-4.18

Polar Surface Area

72.424

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C200-9201 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C200-9201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9201?
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What is the minimum amount of C200-9201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9201
  • 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 C200-9201 available by request