Y501-3217 Screening compound: 7-(1,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

Y501-3217 Screening compound: 7-(1,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Y501-3217 Screening compound: 7-(1,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-9-(trifluoromethyl)pyrido[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 Y501-3217
7-(1,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]-9-(trifluoromethyl)pyrido[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

Y501-3217

Molecular Formula

C21H15F3N10O2S (C21 H15 F3 N10 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(C)nc1)c1-c1c(c(ncn2nc(Cn3nc(C)c([N+]([O-])=O)c3)nc22)c2s2)c2nc(C(F)(F)F)c1

InChI

InChI=1S/C21H15F3N10O2S/c1-9-13(34(35)36)6-32(29-9)7-15-28-19-18-17(25-8-33(19)30-15)16-11(12-5-26-31(3)10(12)2)4-14(21(22,23)24)27-20(16)37-18/h4-6,8H,7H2,1-3H3

InChI Key

NJWBCJMLTGTIEV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.987

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.60

Polar Surface Area

103.637

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

Y501-3217 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 Y501-3217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-3217?
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What is the minimum amount of Y501-3217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-3217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-3217
  • 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 Y501-3217 available by request