Y501-2287 Screening compound: 2-[1-(4-chloro-3-methyl-1H-pyrazol-1-yl)ethyl]-9-(difluoromethyl)-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

Y501-2287 Screening compound: 2-[1-(4-chloro-3-methyl-1H-pyrazol-1-yl)ethyl]-9-(difluoromethyl)-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Y501-2287 Screening compound: 2-[1-(4-chloro-3-methyl-1H-pyrazol-1-yl)ethyl]-9-(difluoromethyl)-7-phenylpyrido[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 Y501-2287
2-[1-(4-chloro-3-methyl-1H-pyrazol-1-yl)ethyl]-9-(difluoromethyl)-7-phenylpyrido[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

Y501-2287

Molecular Formula

C23H16ClF2N7S (C23 H16 ClF2 N7 S)

Compound Name

2-[1-(4-chloro-3-methyl-1H-pyrazol-1-yl)ethyl]-9-(difluoromethyl)-7-phenylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

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

SMILES

CC(c1nn(cnc2c3sc4c2c(-c2ccccc2)cc(C(F)F)n4)c3n1)n1nc(C)c(Cl)c1

InChI

InChI=1S/C23H16ClF2N7S/c1-11-15(24)9-32(30-11)12(2)21-29-22-19-18(27-10-33(22)31-21)17-14(13-6-4-3-5-7-13)8-16(20(25)26)28-23(17)34-19/h3-10,12,20H,1-2H3/t12-/m0/s1

InChI Key

NUVPFYLRMKTZLR-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

5.008

Water Solubility, LogSw

-5.26

Polar Surface Area

54.883

Acid Dissociation Constant (pKa)

23.76

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.39

Y501-2287 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y501-2287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-2287?
Check Price and Availability of Y501-2287, 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 Y501-2287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-2287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-2287
  • 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 Y501-2287 available by request