D291-0054 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide

D291-0054 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
D291-0054 Screening compound: 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D291-0054
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)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

D291-0054

Molecular Formula

C18H21N7O3S (C18 H21 N7 O3 S)

Compound Name

2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide

IUPAC name

2-{[5-(4-acetamido-125-oxadiazol-3-yl)-4-ethyl-4H-124-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide

SMILES

CCc(cccc1)c1NC(CSc1nnc(-c2nonc2NC(C)=O)n1CC)=O

InChI

InChI=1S/C18H21N7O3S/c1-4-12-8-6-7-9-13(12)20-14(27)10-29-18-22-21-17(25(18)5-2)15-16(19-11(3)26)24-28-23-15/h6-9H,4-5,10H2,1-3H3,(H,20,27)(H,19,24,26)

InChI Key

YDMVZLVBHQQWDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09221478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.537

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-2.67

Polar Surface Area

106.707

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D291-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-0054?
Check Price and Availability of D291-0054, 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 D291-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-0054
  • 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 D291-0054 available by request