8012-9731 Screening compound: 2,6-dimethyl-4-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]phenol

8012-9731 Screening compound: 2,6-dimethyl-4-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]phenol
8012-9731 Screening compound: 2,6-dimethyl-4-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9731
2,6-dimethyl-4-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]phenol

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

8012-9731

Molecular Formula

C16H16N4O (C16 H16 N4 O)

Compound Name

2,6-dimethyl-4-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]phenol

IUPAC name

26-dimethyl-4-[(5-phenyl-2H-1234-tetrazol-2-yl)methyl]phenol

SMILES

Cc1cc(Cn2nnc(-c3ccccc3)n2)cc(C)c1O

InChI

InChI=1S/C16H16N4O/c1-11-8-13(9-12(2)15(11)21)10-20-18-16(17-19-20)14-6-4-3-5-7-14/h3-9,21H,10H2,1-2H3

InChI Key

FJAYQYVRIDIFCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.082

Distribution Coefficient, logD

3.082

Water Solubility, LogSw

-2.83

Polar Surface Area

53.821

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8012-9731 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-9731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9731?
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What is the minimum amount of 8012-9731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9731
  • 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 8012-9731 available by request