Y509-0014 Screening compound: 2-{[5-(4-bromo-2-thienyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-isobutylacetamide

Y509-0014 Screening compound: 2-{[5-(4-bromo-2-thienyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-isobutylacetamide
Y509-0014 Screening compound: 2-{[5-(4-bromo-2-thienyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-isobutylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-0014
2-{[5-(4-bromo-2-thienyl)-4-methyl-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

Y509-0014

Molecular Formula

C13H17BrN4OS2 (C13 H17 BrN4 OS2)

Compound Name

2-{[5-(4-bromo-2-thienyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-isobutylacetamide

IUPAC name

n/a

SMILES

CC(C)CNC(CSc1nnc(-c2cc(Br)cs2)n1C)=O

InChI

InChI=1S/C13H17BrN4OS2/c1-8(2)5-15-11(19)7-21-13-17-16-12(18(13)3)10-4-9(14)6-20-10/h4,6,8H,5,7H2,1-3H3,(H,15,19)

InChI Key

YDZCCOXPXUDKLF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.892

Water Solubility, LogSw

-3.26

Polar Surface Area

50.812

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with Y509-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-0014?
Check Price and Availability of Y509-0014, 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 Y509-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-0014
  • 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 Y509-0014 available by request