D153-0080 Screening compound: 1-[2-(4-methoxyphenyl)-5-{[2-(5-methylfuran-2-yl)phenyl]amino}-2H-1,2,3-triazol-4-yl]ethan-1-one

D153-0080 Screening compound: 1-[2-(4-methoxyphenyl)-5-{[2-(5-methylfuran-2-yl)phenyl]amino}-2H-1,2,3-triazol-4-yl]ethan-1-one
D153-0080 Screening compound: 1-[2-(4-methoxyphenyl)-5-{[2-(5-methylfuran-2-yl)phenyl]amino}-2H-1,2,3-triazol-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D153-0080
1-[2-(4-methoxyphenyl)-5-{[2-(5-methylfuran-2-yl)phenyl]amino}-2H-1,2,3-triazol-4-yl]ethan-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

D153-0080

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

1-[2-(4-methoxyphenyl)-5-{[2-(5-methylfuran-2-yl)phenyl]amino}-2H-1,2,3-triazol-4-yl]ethan-1-one

IUPAC name

1-[2-(4-methoxyphenyl)-5-{[2-(5-methylfuran-2-yl)phenyl]amino}-2H-123-triazol-4-yl]ethan-1-one

SMILES

CC(c1nn(-c(cc2)ccc2OC)nc1Nc(cccc1)c1-c1ccc(C)o1)=O

InChI

InChI=1S/C22H20N4O3/c1-14-8-13-20(29-14)18-6-4-5-7-19(18)23-22-21(15(2)27)24-26(25-22)16-9-11-17(28-3)12-10-16/h4-13H,1-3H3,(H,23,25)

InChI Key

BFZGQIMBENCKDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.38

Polar Surface Area

63.387

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D153-0080 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D153-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0080?
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What is the minimum amount of D153-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0080
  • 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 D153-0080 available by request