Y501-0671 Screening compound: 2-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

Y501-0671 Screening compound: 2-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Y501-0671 Screening compound: 2-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-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 Y501-0671
2-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-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

Y501-0671

Molecular Formula

C17H9BrF5N7S (C17 H9 BrF5 N7 S)

Compound Name

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

IUPAC name

4-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-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(-c3nn(C)c(C(F)(F)F)c3Br)nc11)c1s2

InChI

InChI=1S/C17H9BrF5N7S/c1-5-3-6(13(19)20)25-16-7(5)9-11(31-16)15-26-14(28-30(15)4-24-9)10-8(18)12(17(21,22)23)29(2)27-10/h3-4,13H,1-2H3

InChI Key

KSQXERPBHCOTLF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.49

Polar Surface Area

54.283

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

Y501-0671 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y501-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0671?
Check Price and Availability of Y501-0671, 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 Y501-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0671
  • 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 Y501-0671 available by request