J034-0550 Screening compound: 4-methoxy-N-(1-{1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexyl)aniline

J034-0550 Screening compound: 4-methoxy-N-(1-{1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexyl)aniline
J034-0550 Screening compound: 4-methoxy-N-(1-{1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0550
4-methoxy-N-(1-{1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexyl)aniline

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

J034-0550

Molecular Formula

C23H29N5O (C23 H29 N5 O)

Compound Name

4-methoxy-N-(1-{1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexyl)aniline

IUPAC name

4-methoxy-N-(1-{1-[4-(propan-2-yl)phenyl]-1H-1234-tetrazol-5-yl}cyclohexyl)aniline

SMILES

CC(C)c(cc1)ccc1-n1nnnc1C1(CCCCC1)Nc(cc1)ccc1OC

InChI

InChI=1S/C23H29N5O/c1-17(2)18-7-11-20(12-8-18)28-22(25-26-27-28)23(15-5-4-6-16-23)24-19-9-13-21(29-3)14-10-19/h7-14,17,24H,4-6,15-16H2,1-3H3

InChI Key

DFDJZGPSVRHMCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.754

Distribution Coefficient, logD

5.754

Water Solubility, LogSw

-5.44

Polar Surface Area

56.849

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

J034-0550 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J034-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0550?
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What is the minimum amount of J034-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0550
  • 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 J034-0550 available by request