5989-2714 Screening compound: 2-{[(1E)-6-(4-methoxyphenoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]amino}ethan-1-ol

5989-2714 Screening compound: 2-{[(1E)-6-(4-methoxyphenoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]amino}ethan-1-ol
5989-2714 Screening compound: 2-{[(1E)-6-(4-methoxyphenoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]amino}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-2714
2-{[(1E)-6-(4-methoxyphenoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]amino}ethan-1-ol

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

5989-2714

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

2-{[(1E)-6-(4-methoxyphenoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]amino}ethan-1-ol

IUPAC name

2-{[(1E)-6-(4-methoxyphenoxy)-2349-tetrahydro-1H-carbazol-1-ylidene]amino}ethan-1-ol

SMILES

COc(cc1)ccc1Oc(cc1)cc2c1[nH]c1c2CCC/C1=N\CCO

InChI

InChI=1S/C21H22N2O3/c1-25-14-5-7-15(8-6-14)26-16-9-10-19-18(13-16)17-3-2-4-20(21(17)23-19)22-11-12-24/h5-10,13,23-24H,2-4,11-12H2,1H3

InChI Key

XDRWCUAAZRMCDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00366713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

1.329

Water Solubility, LogSw

-4.28

Polar Surface Area

49.418

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5989-2714 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5989-2714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-2714?
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What is the minimum amount of 5989-2714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-2714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-2714
  • 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 5989-2714 available by request