5989-3717 Screening compound: 2-{5-[1-(2-methoxy-N-methylacetamido)cyclohexyl]-1H-1,2,3,4-tetrazol-1-yl}ethyl N-(4-chlorophenyl)carbamate

5989-3717 Screening compound: 2-{5-[1-(2-methoxy-N-methylacetamido)cyclohexyl]-1H-1,2,3,4-tetrazol-1-yl}ethyl N-(4-chlorophenyl)carbamate
5989-3717 Screening compound: 2-{5-[1-(2-methoxy-N-methylacetamido)cyclohexyl]-1H-1,2,3,4-tetrazol-1-yl}ethyl N-(4-chlorophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3717
2-{5-[1-(2-methoxy-N-methylacetamido)cyclohexyl]-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

5989-3717

Molecular Formula

C20H27ClN6O4 (C20 H27 ClN6 O4)

Compound Name

2-{5-[1-(2-methoxy-N-methylacetamido)cyclohexyl]-1H-1,2,3,4-tetrazol-1-yl}ethyl N-(4-chlorophenyl)carbamate

IUPAC name

2-{5-[1-(2-methoxy-N-methylacetamido)cyclohexyl]-1H-1234-tetrazol-1-yl}ethyl N-(4-chlorophenyl)carbamate

SMILES

CN(C1(CCCCC1)c1nnnn1CCOC(Nc(cc1)ccc1Cl)=O)C(COC)=O

InChI

InChI=1S/C20H27ClN6O4/c1-26(17(28)14-30-2)20(10-4-3-5-11-20)18-23-24-25-27(18)12-13-31-19(29)22-16-8-6-15(21)7-9-16/h6-9H,3-5,10-14H2,1-2H3,(H,22,29)

InChI Key

QLOOVILNSIMALG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00331062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.901

Distribution Coefficient, logD

2.900

Water Solubility, LogSw

-3.60

Polar Surface Area

94.241

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

5989-3717 in Drug Discovery

Included in Screening Libraries

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 5989-3717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3717?
Check Price and Availability of 5989-3717, 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 5989-3717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3717
  • 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 5989-3717 available by request