8538-0229 Screening compound: 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl}sulfanyl)acetic acid

8538-0229 Screening compound: 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl}sulfanyl)acetic acid
8538-0229 Screening compound: 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8538-0229
2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl}sulfanyl)acetic acid

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

8538-0229

Molecular Formula

C10H12N6O5S (C10 H12 N6 O5 S)

Compound Name

2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl}sulfanyl)acetic acid

IUPAC name

2-({[1-(4-amino-125-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-123-triazol-5-yl]methyl}sulfanyl)acetic acid

SMILES

CCOC(c1c(CSCC(O)=O)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C10H12N6O5S/c1-2-20-10(19)7-5(3-22-4-6(17)18)16(15-12-7)9-8(11)13-21-14-9/h2-4H2,1H3,(H2,11,13)(H,17,18)

InChI Key

XUDZVNZXFMSWMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.234

Distribution Coefficient, logD

-3.202

Water Solubility, LogSw

-0.84

Polar Surface Area

131.977

Acid Dissociation Constant (pKa)

3.96

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8538-0229 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8538-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8538-0229?
Check Price and Availability of 8538-0229, 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 8538-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8538-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8538-0229
  • 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 8538-0229 available by request