4464-0979 Screening compound: tert-butyl 2-({1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidine-1-carboxylate

4464-0979 Screening compound: tert-butyl 2-({1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidine-1-carboxylate
4464-0979 Screening compound: tert-butyl 2-({1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-0979
tert-butyl 2-({1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidine-1-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

4464-0979

Molecular Formula

C26H39N3O6 (C26 H39 N3 O6)

Compound Name

tert-butyl 2-({1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidine-1-carboxylate

IUPAC name

tert-butyl 2-({1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidine-1-carboxylate

SMILES

CC(C)CC(C(OC)=O)NC(C(Cc1ccccc1)NC(C(CCC1)N1C(OC(C)(C)C)=O)=O)=O

InChI

InChI=1S/C26H39N3O6/c1-17(2)15-20(24(32)34-6)28-22(30)19(16-18-11-8-7-9-12-18)27-23(31)21-13-10-14-29(21)25(33)35-26(3,4)5/h7-9,11-12,17,19-21H,10,13-16H2,1-6H3,(H,27,31)(H,28,30)

InChI Key

BMTQMARVAUVLIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

3.478

Water Solubility, LogSw

-3.76

Polar Surface Area

91.913

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.50

4464-0979 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4464-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-0979?
Check Price and Availability of 4464-0979, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4464-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-0979
  • 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 4464-0979 available by request