6623-2031 Screening compound: benzyl 1-[1-(2-{[(benzyloxy)carbonyl]amino}acetyl)-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate

6623-2031 Screening compound: benzyl 1-[1-(2-{[(benzyloxy)carbonyl]amino}acetyl)-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate
6623-2031 Screening compound: benzyl 1-[1-(2-{[(benzyloxy)carbonyl]amino}acetyl)-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-2031
benzyl 1-[1-(2-{[(benzyloxy)carbonyl]amino}acetyl)-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate

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

6623-2031

Molecular Formula

C27H31N3O8 (C27 H31 N3 O8)

Compound Name

benzyl 1-[1-(2-{[(benzyloxy)carbonyl]amino}acetyl)-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate

IUPAC name

benzyl 1-[1-(2-{[(benzyloxy)carbonyl]amino}acetyl)-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate

SMILES

OC(CC1C(N(CC(C2)O)C2C(OCc2ccccc2)=O)=O)CN1C(CNC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C27H31N3O8/c31-20-11-22(29(14-20)24(33)13-28-27(36)38-17-19-9-5-2-6-10-19)25(34)30-15-21(32)12-23(30)26(35)37-16-18-7-3-1-4-8-18/h1-10,20-23,31-32H,11-17H2,(H,28,36)

InChI Key

VTSGYJHHFSZLHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00311870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.408

Distribution Coefficient, logD

1.408

Water Solubility, LogSw

-1.54

Polar Surface Area

118.438

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

40.70

6623-2031 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 6623-2031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-2031?
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What is the minimum amount of 6623-2031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-2031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-2031
  • 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 6623-2031 available by request