Y501-8483 Screening compound: 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)-1-adamantanecarboxamide

Y501-8483 Screening compound: 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)-1-adamantanecarboxamide

Chemical Structure Depiction of ChemDiv screening compound Y501-8483
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)-1-adamantanecarboxamide

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

Y501-8483

Molecular Formula

C19H19BrF2N4O (C19 H19 BrF2 N4 O)

Compound Name

3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)-1-adamantanecarboxamide

IUPAC name

3-(3-bromo-1H-124-triazol-1-yl)-N-(25-difluorophenyl)adamantane-1-carboxamide

SMILES

O=C(C(CC(C1)C2)(CC1C1)CC12n(cn1)nc1Br)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C19H19BrF2N4O/c20-17-23-10-26(25-17)19-7-11-3-12(8-19)6-18(5-11,9-19)16(27)24-15-4-13(21)1-2-14(15)22/h1-2,4,10-12H,3,5-9H2,(H,24,27)

InChI Key

NDOKLMYXQLTYLT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.798

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.93

Polar Surface Area

46.963

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

References: we are preparing a list of scientific research reports with Y501-8483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8483?
Check Price and Availability of Y501-8483, 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 Y501-8483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8483
  • 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 Y501-8483 available by request