8008-2336 Screening compound: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate

8008-2336 Screening compound: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
8008-2336 Screening compound: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2336
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate

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

8008-2336

Molecular Formula

C14H11N7O4S (C14 H11 N7 O4 S)

Compound Name

methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate

IUPAC name

methyl 1-(4-amino-125-oxadiazol-3-yl)-5-[(13-benzoxazol-2-ylsulfanyl)methyl]-1H-123-triazole-4-carboxylate

SMILES

COC(c1c(CSc2nc(cccc3)c3o2)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C14H11N7O4S/c1-23-13(22)10-8(21(20-17-10)12-11(15)18-25-19-12)6-26-14-16-7-4-2-3-5-9(7)24-14/h2-5H,6H2,1H3,(H2,15,18)

InChI Key

YCWXFIGAZNVYKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-2.44

Polar Surface Area

120.405

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8008-2336 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8008-2336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2336?
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What is the minimum amount of 8008-2336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2336
  • 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 8008-2336 available by request