8011-4810 Screening compound: ethyl 4-{5-[(2,4-dichlorophenyl)(morpholin-4-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}benzoate

8011-4810 Screening compound: ethyl 4-{5-[(2,4-dichlorophenyl)(morpholin-4-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}benzoate
8011-4810 Screening compound: ethyl 4-{5-[(2,4-dichlorophenyl)(morpholin-4-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4810
ethyl 4-{5-[(2,4-dichlorophenyl)(morpholin-4-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}benzoate

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

8011-4810

Molecular Formula

C21H21Cl2N5O3 (C21 H21 Cl2 N5 O3)

Compound Name

ethyl 4-{5-[(2,4-dichlorophenyl)(morpholin-4-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}benzoate

IUPAC name

ethyl 4-{5-[(24-dichlorophenyl)(morpholin-4-yl)methyl]-1H-1234-tetrazol-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-n1nnnc1C(c(ccc(Cl)c1)c1Cl)N1CCOCC1)=O

InChI

InChI=1S/C21H21Cl2N5O3/c1-2-31-21(29)14-3-6-16(7-4-14)28-20(24-25-26-28)19(27-9-11-30-12-10-27)17-8-5-15(22)13-18(17)23/h3-8,13,19H,2,9-12H2,1H3/t19-/m1/s1

InChI Key

WPHALTHRMHWJMY-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02648778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.676

Distribution Coefficient, logD

4.676

Water Solubility, LogSw

-4.81

Polar Surface Area

70.994

Acid Dissociation Constant (pKa)

20.83

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8011-4810 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-4810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4810?
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What is the minimum amount of 8011-4810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4810
  • 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 8011-4810 available by request