J034-0991 Screening compound: 1-{1-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}piperidine

J034-0991 Screening compound: 1-{1-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}piperidine
J034-0991 Screening compound: 1-{1-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-0991
1-{1-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}piperidine

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

J034-0991

Molecular Formula

C18H25N5O (C18 H25 N5 O)

Compound Name

1-{1-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]cyclopentyl}piperidine

IUPAC name

1-{1-[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]cyclopentyl}piperidine

SMILES

COc(cc1)ccc1-n1nnnc1C1(CCCC1)N1CCCCC1

InChI

InChI=1S/C18H25N5O/c1-24-16-9-7-15(8-10-16)23-17(19-20-21-23)18(11-3-4-12-18)22-13-5-2-6-14-22/h7-10H,2-6,11-14H2,1H3

InChI Key

BKRBGPAAYHTGBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

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

3.771

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-3.94

Polar Surface Area

50.486

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

J034-0991 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 J034-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-0991?
Check Price and Availability of J034-0991, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J034-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-0991
  • 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 J034-0991 available by request