Y205-0981 Screening compound: N-(2,4-difluorophenyl)-N'-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]urea

Y205-0981 Screening compound: N-(2,4-difluorophenyl)-N'-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]urea
Y205-0981 Screening compound: N-(2,4-difluorophenyl)-N'-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-0981
N-(2,4-difluorophenyl)-N'-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]urea

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

Y205-0981

Molecular Formula

C16H12F3N5O (C16 H12 F3 N5 O)

Compound Name

N-(2,4-difluorophenyl)-N'-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]urea

IUPAC name

1-(24-difluorophenyl)-3-{1-[(3-fluorophenyl)methyl]-1H-124-triazol-3-yl}urea

SMILES

O=C(Nc1nn(Cc2cc(F)ccc2)cn1)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C16H12F3N5O/c17-11-3-1-2-10(6-11)8-24-9-20-15(23-24)22-16(25)21-14-5-4-12(18)7-13(14)19/h1-7,9H,8H2,(H2,21,22,23,25)

InChI Key

XNXKQPFYCUBCDR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.375

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-3.55

Polar Surface Area

57.065

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

References: we are preparing a list of scientific research reports with Y205-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-0981?
Check Price and Availability of Y205-0981, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y205-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-0981
  • 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 Y205-0981 available by request