8013-0880 Screening compound: N~1~-{1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]-1-methylethyl}acetamide

8013-0880 Screening compound: N~1~-{1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]-1-methylethyl}acetamide
8013-0880 Screening compound: N~1~-{1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]-1-methylethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0880
N~1~-{1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]-1-methylethyl}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

8013-0880

Molecular Formula

C9H13N7O2 (C9 H13 N7 O2)

Compound Name

N~1~-{1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]-1-methylethyl}acetamide

IUPAC name

N-{2-[1-(4-amino-125-oxadiazol-3-yl)-1H-123-triazol-4-yl]propan-2-yl}acetamide

SMILES

CC(C)(c1cn(-c2nonc2N)nn1)NC(C)=O

InChI

InChI=1S/C9H13N7O2/c1-5(17)11-9(2,3)6-4-16(15-12-6)8-7(10)13-18-14-8/h4H,1-3H3,(H2,10,13)(H,11,17)

InChI Key

PVWOJJUJKQJEOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31795102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.015

Distribution Coefficient, logD

0.015

Water Solubility, LogSw

-1.45

Polar Surface Area

106.448

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

References: we are preparing a list of scientific research reports with 8013-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0880?
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What is the minimum amount of 8013-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0880
  • 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 8013-0880 available by request