V006-1788 Screening compound: (2S)-1-butyryl-N~2~-{(1R,2R)-2-[(4-methoxybenzoyl)(3-methylbenzyl)amino]cyclohexyl}tetrahydro-1H-pyrrole-2-carboxamide

V006-1788 Screening compound: (2S)-1-butyryl-N~2~-{(1R,2R)-2-[(4-methoxybenzoyl)(3-methylbenzyl)amino]cyclohexyl}tetrahydro-1H-pyrrole-2-carboxamide
V006-1788 Screening compound: (2S)-1-butyryl-N~2~-{(1R,2R)-2-[(4-methoxybenzoyl)(3-methylbenzyl)amino]cyclohexyl}tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1788
(2S)-1-butyryl-N~2~-{(1R,2R)-2-[(4-methoxybenzoyl)(3-methylbenzyl)amino]cyclohexyl}tetrahydro-1H-pyrrole-2-carboxamide

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

V006-1788

Molecular Formula

C31H41N3O4 (C31 H41 N3 O4)

Compound Name

(2S)-1-butyryl-N~2~-{(1R,2R)-2-[(4-methoxybenzoyl)(3-methylbenzyl)amino]cyclohexyl}tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

(2S)-1-butanoyl-N-[(1R2R)-2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl]pyrrolidine-2-carboxamide

SMILES

CCCC(N(CCC1)[C@H]1C(N[C@@H](CCCC1)[C@H]1N(Cc1cc(C)ccc1)C(c(cc1)ccc1OC)=O)=O)=O

InChI

InChI=1S/C31H41N3O4/c1-4-9-29(35)33-19-8-14-28(33)30(36)32-26-12-5-6-13-27(26)34(21-23-11-7-10-22(2)20-23)31(37)24-15-17-25(38-3)18-16-24/h7,10-11,15-18,20,26-28H,4-6,8-9,12-14,19,21H2,1-3H3,(H,32,36)/t26-,27-,28+/m0/s1

InChI Key

JKGAFSOOZDNPHP-HZFUHODCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.671

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-4.37

Polar Surface Area

63.221

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

51.61

V006-1788 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V006-1788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1788?
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What is the minimum amount of V006-1788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1788
  • 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 V006-1788 available by request