J034-0646 Screening compound: 4-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}morpholine

J034-0646 Screening compound: 4-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}morpholine
J034-0646 Screening compound: 4-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0646
4-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}morpholine

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

J034-0646

Molecular Formula

C17H25N5O (C17 H25 N5 O)

Compound Name

4-{2-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]butan-2-yl}morpholine

IUPAC name

4-{2-[1-(26-dimethylphenyl)-1H-1234-tetrazol-5-yl]butan-2-yl}morpholine

SMILES

CCC(C)(c1nnnn1-c1c(C)cccc1C)N1CCOCC1

InChI

InChI=1S/C17H25N5O/c1-5-17(4,21-9-11-23-12-10-21)16-18-19-20-22(16)15-13(2)7-6-8-14(15)3/h6-8H,5,9-12H2,1-4H3/t17-/m0/s1

InChI Key

FTESTVHPDSPNHK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00397622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-2.81

Polar Surface Area

50.238

Acid Dissociation Constant (pKa)

25.78

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

J034-0646 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J034-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0646?
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What is the minimum amount of J034-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0646
  • 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 J034-0646 available by request