Y501-9411 Screening compound: 2-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

Y501-9411 Screening compound: 2-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Y501-9411 Screening compound: 2-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-9411
2-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

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

Y501-9411

Molecular Formula

C20H13BrF3N5OS (C20 H13 BrF3 N5 OS)

Compound Name

2-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one

IUPAC name

4-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-13-methyl-11-(trifluoromethyl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-6-one

SMILES

Cc1c(c(NC(c2c[nH]nc2-c(cc2)ccc2Br)NC2=O)c2s2)c2nc(C(F)(F)F)c1

InChI

InChI=1S/C20H13BrF3N5OS/c1-8-6-12(20(22,23)24)26-19-13(8)15-16(31-19)18(30)28-17(27-15)11-7-25-29-14(11)9-2-4-10(21)5-3-9/h2-7,17,27H,1H3,(H,25,29)(H,28,30)/t17-/m0/s1

InChI Key

FOJPHPHUHMOQKS-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.69

Polar Surface Area

68.035

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

Y501-9411 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 Y501-9411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9411?
Check Price and Availability of Y501-9411, 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 Y501-9411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9411
  • 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 Y501-9411 available by request