Y501-0802 Screening compound: 4-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl (2,4-dimethylphenyl) ether

Y501-0802 Screening compound: 4-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl (2,4-dimethylphenyl) ether
Y501-0802 Screening compound: 4-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl (2,4-dimethylphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0802
4-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl (2,4-dimethylphenyl) ether

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

Y501-0802

Molecular Formula

C27H21F2N5OS (C27 H21 F2 N5 OS)

Compound Name

4-[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl (2,4-dimethylphenyl) ether

IUPAC name

13-(difluoromethyl)-4-{4-[(24-dimethylphenoxy)methyl]phenyl}-11-methyl-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)24710(15)1113-heptaene

SMILES

Cc(cc1)cc(C)c1OCc(cc1)ccc1-c1nn(cnc2c3sc4nc(C(F)F)cc(C)c24)c3n1

InChI

InChI=1S/C27H21F2N5OS/c1-14-4-9-20(15(2)10-14)35-12-17-5-7-18(8-6-17)25-32-26-23-22(30-13-34(26)33-25)21-16(3)11-19(24(28)29)31-27(21)36-23/h4-11,13,24H,12H2,1-3H3

InChI Key

MAAFGWFBNLVRCQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.56

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

7.096

Distribution Coefficient, logD

7.092

Water Solubility, LogSw

-6.13

Polar Surface Area

47.535

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.52

Y501-0802 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y501-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0802?
Check Price and Availability of Y501-0802, 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 Y501-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0802
  • 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 Y501-0802 available by request