5989-3714 Screening compound: 2-[5-(1-acetamidocyclopentyl)-1H-1,2,3,4-tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

5989-3714 Screening compound: 2-[5-(1-acetamidocyclopentyl)-1H-1,2,3,4-tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
5989-3714 Screening compound: 2-[5-(1-acetamidocyclopentyl)-1H-1,2,3,4-tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3714
2-[5-(1-acetamidocyclopentyl)-1H-1,2,3,4-tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

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

5989-3714

Molecular Formula

C17H21ClN6O3 (C17 H21 ClN6 O3)

Compound Name

2-[5-(1-acetamidocyclopentyl)-1H-1,2,3,4-tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

IUPAC name

2-[5-(1-acetamidocyclopentyl)-1H-1234-tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

SMILES

CC(NC1(CCCC1)c1nnnn1CCOC(Nc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C17H21ClN6O3/c1-12(25)20-17(8-2-3-9-17)15-21-22-23-24(15)10-11-27-16(26)19-14-6-4-13(18)5-7-14/h4-7H,2-3,8-11H2,1H3,(H,19,26)(H,20,25)

InChI Key

XGXAHLRAQBVPKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00360843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.171

Distribution Coefficient, logD

2.169

Water Solubility, LogSw

-3.05

Polar Surface Area

95.601

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

5989-3714 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5989-3714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3714?
Check Price and Availability of 5989-3714, 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 5989-3714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3714
  • 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 5989-3714 available by request