Y503-3736 Screening compound: N~1~-(4-bromo-2-fluorophenyl)-2-({4-isobutyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Y503-3736 Screening compound: N~1~-(4-bromo-2-fluorophenyl)-2-({4-isobutyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Y503-3736 Screening compound: N~1~-(4-bromo-2-fluorophenyl)-2-({4-isobutyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-3736
N~1~-(4-bromo-2-fluorophenyl)-2-({4-isobutyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

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

Y503-3736

Molecular Formula

C19H22BrFN6OS (C19 H22 BrFN6 OS)

Compound Name

N~1~-(4-bromo-2-fluorophenyl)-2-({4-isobutyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-2-({5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4-(2-methylpropyl)-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

CC(C)Cn1c(SCC(Nc(ccc(Br)c2)c2F)=O)nnc1Cn1nccc1C

InChI

InChI=1S/C19H22BrFN6OS/c1-12(2)9-26-17(10-27-13(3)6-7-22-27)24-25-19(26)29-11-18(28)23-16-5-4-14(20)8-15(16)21/h4-8,12H,9-11H2,1-3H3,(H,23,28)

InChI Key

SAVDIBGYOGUVKF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.169

Distribution Coefficient, logD

3.161

Water Solubility, LogSw

-3.27

Polar Surface Area

62.003

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

References: we are preparing a list of scientific research reports with Y503-3736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-3736?
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What is the minimum amount of Y503-3736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-3736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-3736
  • 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 Y503-3736 available by request