5989-3716 Screening compound: 2-(5-{1-[(2-METHOXYACETYL)AMINO]CYCLOHEXYL}-1H-1,2,3,4-TETRAAZOL-1-YL)ETHYL N-(4-CHLOROPHENYL)CARBAMATE

5989-3716 Screening compound: 2-(5-{1-[(2-METHOXYACETYL)AMINO]CYCLOHEXYL}-1H-1,2,3,4-TETRAAZOL-1-YL)ETHYL N-(4-CHLOROPHENYL)CARBAMATE
5989-3716 Screening compound: 2-(5-{1-[(2-METHOXYACETYL)AMINO]CYCLOHEXYL}-1H-1,2,3,4-TETRAAZOL-1-YL)ETHYL N-(4-CHLOROPHENYL)CARBAMATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3716
2-(5-{1-[(2-METHOXYACETYL)AMINO]CYCLOHEXYL}-1H-1,2,3,4-TETRAAZOL-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

5989-3716

Molecular Formula

C19H25ClN6O4 (C19 H25 ClN6 O4)

Compound Name

2-(5-{1-[(2-METHOXYACETYL)AMINO]CYCLOHEXYL}-1H-1,2,3,4-TETRAAZOL-1-YL)ETHYL N-(4-CHLOROPHENYL)CARBAMATE

IUPAC name

n/a

SMILES

COCC(NC1(CCCCC1)c1nnnn1CCOC(Nc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C19H25ClN6O4/c1-29-13-16(27)22-19(9-3-2-4-10-19)17-23-24-25-26(17)11-12-30-18(28)21-15-7-5-14(20)6-8-15/h5-8H,2-4,9-13H2,1H3,(H,21,28)(H,22,27)

InChI Key

IAVWDVPKXDAVAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00339661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.599

Water Solubility, LogSw

-3.39

Polar Surface Area

103.546

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

5989-3716 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5989-3716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3716?
Check Price and Availability of 5989-3716, 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 5989-3716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3716
  • 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 5989-3716 available by request