Y501-0665 Screening compound: 2-{3-[(3-chlorophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

Y501-0665 Screening compound: 2-{3-[(3-chlorophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Y501-0665 Screening compound: 2-{3-[(3-chlorophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0665
2-{3-[(3-chlorophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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

Y501-0665

Molecular Formula

C25H16ClF2N5OS (C25 H16 ClF2 N5 OS)

Compound Name

2-{3-[(3-chlorophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-{3-[(3-chlorophenoxy)methyl]phenyl}-13-(difluoromethyl)-11-methyl-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)24710(15)1113-heptaene

SMILES

Cc1cc(C(F)F)nc2c1c(ncn1nc(-c3cccc(COc4cccc(Cl)c4)c3)nc11)c1s2

InChI

InChI=1S/C25H16ClF2N5OS/c1-13-8-18(22(27)28)30-25-19(13)20-21(35-25)24-31-23(32-33(24)12-29-20)15-5-2-4-14(9-15)11-34-17-7-3-6-16(26)10-17/h2-10,12,22H,11H2,1H3

InChI Key

UNMMJTDWGIAQAU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.830

Distribution Coefficient, logD

6.826

Water Solubility, LogSw

-6.69

Polar Surface Area

47.448

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

Y501-0665 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y501-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0665?
Check Price and Availability of Y501-0665, 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 Y501-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0665
  • 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 Y501-0665 available by request