Y020-1790 Screening compound: 5-(furan-2-yl)-3-[(4H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-1-one

Y020-1790 Screening compound: 5-(furan-2-yl)-3-[(4H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-1-one
Y020-1790 Screening compound: 5-(furan-2-yl)-3-[(4H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1790
5-(furan-2-yl)-3-[(4H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-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

Y020-1790

Molecular Formula

C12H12N4O2 (C12 H12 N4 O2)

Compound Name

5-(furan-2-yl)-3-[(4H-1,2,4-triazol-3-yl)amino]cyclohex-2-en-1-one

IUPAC name

5-(furan-2-yl)-3-[(4H-124-triazol-3-yl)amino]cyclohex-2-en-1-one

SMILES

O=C(CC(C1)c2ccco2)C=C1Nc1nnc[nH]1

InChI

InChI=1S/C12H12N4O2/c17-10-5-8(11-2-1-3-18-11)4-9(6-10)15-12-13-7-14-16-12/h1-3,6-8H,4-5H2,(H2,13,14,15,16)/t8-/m0/s1

InChI Key

YOTHDTQAQOFBCM-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD07157890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.470

Distribution Coefficient, logD

-0.439

Water Solubility, LogSw

-1.54

Polar Surface Area

68.410

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y020-1790 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-1790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1790?
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What is the minimum amount of Y020-1790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1790
  • 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 Y020-1790 available by request