Y508-9585 Screening compound: 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N~1~-[4-(difluoromethoxy)-3-methoxyphenyl]-1-adamantanecarboxamide

Y508-9585 Screening compound: 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N~1~-[4-(difluoromethoxy)-3-methoxyphenyl]-1-adamantanecarboxamide
Y508-9585 Screening compound: 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N~1~-[4-(difluoromethoxy)-3-methoxyphenyl]-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-9585
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N~1~-[4-(difluoromethoxy)-3-methoxyphenyl]-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

Y508-9585

Molecular Formula

C21H23ClF2N4O3 (C21 H23 ClF2 N4 O3)

Compound Name

3-(3-chloro-1H-1,2,4-triazol-1-yl)-N~1~-[4-(difluoromethoxy)-3-methoxyphenyl]-1-adamantanecarboxamide

IUPAC name

n/a

SMILES

COc(cc(cc1)NC(C(CC(C2)C3)(CC2C2)CC23n(cn2)nc2Cl)=O)c1OC(F)F

InChI

InChI=1S/C21H23ClF2N4O3/c1-30-16-5-14(2-3-15(16)31-19(23)24)26-17(29)20-6-12-4-13(7-20)9-21(8-12,10-20)28-11-25-18(22)27-28/h2-3,5,11-13,19H,4,6-10H2,1H3,(H,26,29)

InChI Key

LXWRYYCNQVBDIN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.46

Polar Surface Area

61.017

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with Y508-9585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-9585?
Check Price and Availability of Y508-9585, 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 Y508-9585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-9585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-9585
  • 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 Y508-9585 available by request