8011-1993 Screening compound: [(4-ethoxyphenyl)carbamoyl]methyl 4-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoate

8011-1993 Screening compound: [(4-ethoxyphenyl)carbamoyl]methyl 4-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoate
8011-1993 Screening compound: [(4-ethoxyphenyl)carbamoyl]methyl 4-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1993
[(4-ethoxyphenyl)carbamoyl]methyl 4-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-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

8011-1993

Molecular Formula

C24H26N6O6S (C24 H26 N6 O6 S)

Compound Name

[(4-ethoxyphenyl)carbamoyl]methyl 4-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoate

IUPAC name

[(4-ethoxyphenyl)carbamoyl]methyl 4-(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H-1234-tetrazol-1-yl)benzoate

SMILES

CCOc(cc1)ccc1NC(COC(c(cc1)ccc1-n1nnnc1SCC(N1CCOCC1)=O)=O)=O

InChI

InChI=1S/C24H26N6O6S/c1-2-35-20-9-5-18(6-10-20)25-21(31)15-36-23(33)17-3-7-19(8-4-17)30-24(26-27-28-30)37-16-22(32)29-11-13-34-14-12-29/h3-10H,2,11-16H2,1H3,(H,25,31)

InChI Key

PBODMNNBPQBUMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02152863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-2.77

Polar Surface Area

115.320

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8011-1993 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8011-1993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1993?
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What is the minimum amount of 8011-1993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1993
  • 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 8011-1993 available by request