Y205-5950 Screening compound: 2-({4-allyl-5-[3-(4-chloro-2-methylphenoxy)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N~1~-cyclopropylacetamide

Y205-5950 Screening compound: 2-({4-allyl-5-[3-(4-chloro-2-methylphenoxy)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N~1~-cyclopropylacetamide
Y205-5950 Screening compound: 2-({4-allyl-5-[3-(4-chloro-2-methylphenoxy)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N~1~-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-5950
2-({4-allyl-5-[3-(4-chloro-2-methylphenoxy)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N~1~-cyclopropylacetamide

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

Y205-5950

Molecular Formula

C20H25ClN4O2S (C20 H25 ClN4 O2 S)

Compound Name

2-({4-allyl-5-[3-(4-chloro-2-methylphenoxy)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N~1~-cyclopropylacetamide

IUPAC name

2-({5-[3-(4-chloro-2-methylphenoxy)propyl]-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl}sulfanyl)-N-cyclopropylacetamide

SMILES

Cc(cc(cc1)Cl)c1OCCCc(n1CC=C)nnc1SCC(NC1CC1)=O

InChI

InChI=1S/C20H25ClN4O2S/c1-3-10-25-18(5-4-11-27-17-9-6-15(21)12-14(17)2)23-24-20(25)28-13-19(26)22-16-7-8-16/h3,6,9,12,16H,1,4-5,7-8,10-11,13H2,2H3,(H,22,26)

InChI Key

YGGYFXLDBAQDNN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.47

Polar Surface Area

57.228

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

Y205-5950 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y205-5950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-5950?
Check Price and Availability of Y205-5950, 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 Y205-5950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-5950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-5950
  • 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 Y205-5950 available by request