SD18-0026 Screening compound: N~1~-[3-(1H-1,3-benzimidazol-2-yl)propyl]-2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide

SD18-0026 Screening compound: N~1~-[3-(1H-1,3-benzimidazol-2-yl)propyl]-2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide
SD18-0026 Screening compound: N~1~-[3-(1H-1,3-benzimidazol-2-yl)propyl]-2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD18-0026
N~1~-[3-(1H-1,3-benzimidazol-2-yl)propyl]-2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)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

SD18-0026

Molecular Formula

C17H20N6O3 (C17 H20 N6 O3)

Compound Name

N~1~-[3-(1H-1,3-benzimidazol-2-yl)propyl]-2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide

IUPAC name

N-[3-(1H-13-benzodiazol-2-yl)propyl]-2-{3-oxo-2H3H5H6H8H-[124]triazolo[34-c][14]oxazin-8-yl}acetamide

SMILES

O=C(CC(C1=NN2)OCCN1C2=O)NCCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C17H20N6O3/c24-15(10-13-16-21-22-17(25)23(16)8-9-26-13)18-7-3-6-14-19-11-4-1-2-5-12(11)20-14/h1-2,4-5,13H,3,6-10H2,(H,18,24)(H,19,20)(H,22,25)/t13-/m0/s1

InChI Key

CATIOVLMEAWEED-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.639

Distribution Coefficient, logD

0.616

Water Solubility, LogSw

-1.75

Polar Surface Area

93.842

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with SD18-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD18-0026?
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What is the minimum amount of SD18-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD18-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD18-0026
  • 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 SD18-0026 available by request