Y010-2036 Screening compound: 3-(4-fluorobenzyl)-5-{[(4-fluorobenzyl)amino]carbonyl}-1-(2-oxopropyl)-3H-1,2,3-triazol-1-ium-4-olate

Y010-2036 Screening compound: 3-(4-fluorobenzyl)-5-{[(4-fluorobenzyl)amino]carbonyl}-1-(2-oxopropyl)-3H-1,2,3-triazol-1-ium-4-olate
Y010-2036 Screening compound: 3-(4-fluorobenzyl)-5-{[(4-fluorobenzyl)amino]carbonyl}-1-(2-oxopropyl)-3H-1,2,3-triazol-1-ium-4-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-2036
3-(4-fluorobenzyl)-5-{[(4-fluorobenzyl)amino]carbonyl}-1-(2-oxopropyl)-3H-1,2,3-triazol-1-ium-4-olate

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

Y010-2036

Molecular Formula

C20H18F2N4O3 (C20 H18 F2 N4 O3)

Compound Name

3-(4-fluorobenzyl)-5-{[(4-fluorobenzyl)amino]carbonyl}-1-(2-oxopropyl)-3H-1,2,3-triazol-1-ium-4-olate

IUPAC name

1-[(4-fluorophenyl)methyl]-4-{[(4-fluorophenyl)methyl]carbamoyl}-3-(2-oxopropyl)-1H-123-triazol-3-ium-5-olate

SMILES

CC(C[n+]1nn(Cc(cc2)ccc2F)c([O-])c1C(NCc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C20H18F2N4O3/c1-13(27)11-25-18(19(28)23-10-14-2-6-16(21)7-3-14)20(29)26(24-25)12-15-4-8-17(22)9-5-15/h2-9H,10-12H2,1H3,(H-,23,24,28,29)

InChI Key

YPDKQGWOSHJJOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07773842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.492

Distribution Coefficient, logD

1.492

Water Solubility, LogSw

-2.07

Polar Surface Area

69.650

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y010-2036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-2036?
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What is the minimum amount of Y010-2036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-2036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-2036
  • 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 Y010-2036 available by request