Y010-0527 Screening compound: 5-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-7H,8H,9H-[1,2,4]triazolo[1,5-d][1,2,4]triazepin-8-imine

Y010-0527 Screening compound: 5-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-7H,8H,9H-[1,2,4]triazolo[1,5-d][1,2,4]triazepin-8-imine
Y010-0527 Screening compound: 5-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-7H,8H,9H-[1,2,4]triazolo[1,5-d][1,2,4]triazepin-8-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0527
5-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-7H,8H,9H-[1,2,4]triazolo[1,5-d][1,2,4]triazepin-8-imine

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

Y010-0527

Molecular Formula

C15H11F3N8 (C15 H11 F3 N8)

Compound Name

5-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-7H,8H,9H-[1,2,4]triazolo[1,5-d][1,2,4]triazepin-8-imine

IUPAC name

5-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-7H8H9H-[124]triazolo[15-d][124]triazepin-8-imine

SMILES

N=C(Cc1ncnn11)NN=C1n(c(C(F)(F)F)c1)nc1-c1ccccc1

InChI

InChI=1S/C15H11F3N8/c16-15(17,18)11-6-10(9-4-2-1-3-5-9)24-25(11)14-23-22-12(19)7-13-20-8-21-26(13)14/h1-6,8H,7H2,(H2,19,22)

InChI Key

VDQKKPRTABZWHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06244689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.217

Distribution Coefficient, logD

2.217

Water Solubility, LogSw

-2.28

Polar Surface Area

81.256

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

9.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

Y010-0527 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y010-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0527?
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What is the minimum amount of Y010-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0527
  • 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 Y010-0527 available by request