8017-1975 Screening compound: 1-(1H-1,2,3-benzotriazol-1-yl)-3-(1H-1,2,3,4-tetraazol-1-yl)-1-propanone

8017-1975 Screening compound: 1-(1H-1,2,3-benzotriazol-1-yl)-3-(1H-1,2,3,4-tetraazol-1-yl)-1-propanone
8017-1975 Screening compound: 1-(1H-1,2,3-benzotriazol-1-yl)-3-(1H-1,2,3,4-tetraazol-1-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1975
1-(1H-1,2,3-benzotriazol-1-yl)-3-(1H-1,2,3,4-tetraazol-1-yl)-1-propanone

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

8017-1975

Molecular Formula

C10H9N7O (C10 H9 N7 O)

Compound Name

1-(1H-1,2,3-benzotriazol-1-yl)-3-(1H-1,2,3,4-tetraazol-1-yl)-1-propanone

IUPAC name

1-(1H-123-benzotriazol-1-yl)-3-(1H-1234-tetrazol-1-yl)propan-1-one

SMILES

O=C(CCn1nnnc1)n1nnc2c1cccc2

InChI

InChI=1S/C10H9N7O/c18-10(5-6-16-7-11-13-15-16)17-9-4-2-1-3-8(9)12-14-17/h1-4,7H,5-6H2

InChI Key

TVBFRFYGQADXSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.006

Distribution Coefficient, logD

0.006

Water Solubility, LogSw

-1.27

Polar Surface Area

78.632

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8017-1975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1975?
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What is the minimum amount of 8017-1975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1975
  • 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 8017-1975 available by request