Y503-3750 Screening compound: 2-{[5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-isobutylacetamide

Y503-3750 Screening compound: 2-{[5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-isobutylacetamide
Y503-3750 Screening compound: 2-{[5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-isobutylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-3750
2-{[5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-isobutylacetamide

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

Y503-3750

Molecular Formula

C16H23ClN6OS (C16 H23 ClN6 OS)

Compound Name

2-{[5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-isobutylacetamide

IUPAC name

2-{[5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-cyclopropyl-4H-124-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide

SMILES

CCn(cc1Cl)nc1-c(n1C2CC2)nnc1SCC(NCC(C)C)=O

InChI

InChI=1S/C16H23ClN6OS/c1-4-22-8-12(17)14(21-22)15-19-20-16(23(15)11-5-6-11)25-9-13(24)18-7-10(2)3/h8,10-11H,4-7,9H2,1-3H3,(H,18,24)

InChI Key

WGGXCYQZRUGGRQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.92

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

2.185

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-2.99

Polar Surface Area

64.668

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

References: we are preparing a list of scientific research reports with Y503-3750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-3750?
Check Price and Availability of Y503-3750, 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 Y503-3750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-3750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-3750
  • 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 Y503-3750 available by request