Y041-8122 Screening compound: 3-phenyl-2-(1H-1,2,3,4-tetrazol-1-yl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one

Y041-8122 Screening compound: 3-phenyl-2-(1H-1,2,3,4-tetrazol-1-yl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
Y041-8122 Screening compound: 3-phenyl-2-(1H-1,2,3,4-tetrazol-1-yl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8122
3-phenyl-2-(1H-1,2,3,4-tetrazol-1-yl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one

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

Y041-8122

Molecular Formula

C16H15F3N8O (C16 H15 F3 N8 O)

Compound Name

3-phenyl-2-(1H-1,2,3,4-tetrazol-1-yl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one

IUPAC name

(2S)-3-phenyl-2-(1H-1234-tetrazol-1-yl)-1-[3-(trifluoromethyl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-7-yl]propan-1-one

SMILES

O=C(C(Cc1ccccc1)n1nnnc1)N1Cc2nnc(C(F)(F)F)n2CC1

InChI

InChI=1S/C16H15F3N8O/c17-16(18,19)15-22-21-13-9-25(6-7-26(13)15)14(28)12(27-10-20-23-24-27)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2/t12-/m0/s1

InChI Key

CPSUXCKWPDELSC-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.111

Distribution Coefficient, logD

1.111

Water Solubility, LogSw

-1.70

Polar Surface Area

80.895

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y041-8122 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with Y041-8122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8122?
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What is the minimum amount of Y041-8122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8122
  • 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 Y041-8122 available by request