J034-1008 Screening compound: 1-(4-methoxyphenyl)-5-[1-(pyrrolidin-1-yl)cyclopentyl]-1H-1,2,3,4-tetrazole

J034-1008 Screening compound: 1-(4-methoxyphenyl)-5-[1-(pyrrolidin-1-yl)cyclopentyl]-1H-1,2,3,4-tetrazole
J034-1008 Screening compound: 1-(4-methoxyphenyl)-5-[1-(pyrrolidin-1-yl)cyclopentyl]-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J034-1008
1-(4-methoxyphenyl)-5-[1-(pyrrolidin-1-yl)cyclopentyl]-1H-1,2,3,4-tetrazole

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

J034-1008

Molecular Formula

C17H23N5O (C17 H23 N5 O)

Compound Name

1-(4-methoxyphenyl)-5-[1-(pyrrolidin-1-yl)cyclopentyl]-1H-1,2,3,4-tetrazole

IUPAC name

1-(4-methoxyphenyl)-5-[1-(pyrrolidin-1-yl)cyclopentyl]-1H-1234-tetrazole

SMILES

COc(cc1)ccc1-n1nnnc1C1(CCCC1)N1CCCC1

InChI

InChI=1S/C17H23N5O/c1-23-15-8-6-14(7-9-15)22-16(18-19-20-22)17(10-2-3-11-17)21-12-4-5-13-21/h6-9H,2-5,10-13H2,1H3

InChI Key

WKCWLSQDUQZEHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

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

3.303

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.39

Polar Surface Area

50.852

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

J034-1008 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J034-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J034-1008?
Check Price and Availability of J034-1008, 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 J034-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J034-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J034-1008
  • 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 J034-1008 available by request