V021-0412 Screening compound: N-[(1-CYCLOPROPYL-2-PHENYLMETHANESULFONYL-1H-IMIDAZOL-5-YL)METHYL]-3-METHYL-N-[(OXOLAN-2-YL)METHYL]BUTANAMIDE

V021-0412 Screening compound: N-[(1-CYCLOPROPYL-2-PHENYLMETHANESULFONYL-1H-IMIDAZOL-5-YL)METHYL]-3-METHYL-N-[(OXOLAN-2-YL)METHYL]BUTANAMIDE
V021-0412 Screening compound: N-[(1-CYCLOPROPYL-2-PHENYLMETHANESULFONYL-1H-IMIDAZOL-5-YL)METHYL]-3-METHYL-N-[(OXOLAN-2-YL)METHYL]BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0412
N-[(1-CYCLOPROPYL-2-PHENYLMETHANESULFONYL-1H-IMIDAZOL-5-YL)METHYL]-3-METHYL-N-[(OXOLAN-2-YL)METHYL]BUTANAMIDE

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

V021-0412

Molecular Formula

C24H33N3O4S (C24 H33 N3 O4 S)

Compound Name

N-[(1-CYCLOPROPYL-2-PHENYLMETHANESULFONYL-1H-IMIDAZOL-5-YL)METHYL]-3-METHYL-N-[(OXOLAN-2-YL)METHYL]BUTANAMIDE

IUPAC name

n/a

SMILES

CC(C)CC(N(CC1OCCC1)Cc(n1C2CC2)cnc1S(Cc1ccccc1)(=O)=O)=O

InChI

InChI=1S/C24H33N3O4S/c1-18(2)13-23(28)26(16-22-9-6-12-31-22)15-21-14-25-24(27(21)20-10-11-20)32(29,30)17-19-7-4-3-5-8-19/h3-5,7-8,14,18,20,22H,6,9-13,15-17H2,1-2H3/t22-/m1/s1

InChI Key

VTKCDZMSVHCLMC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19815946

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.769

Distribution Coefficient, logD

2.769

Water Solubility, LogSw

-2.96

Polar Surface Area

65.897

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

V021-0412 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-HIV1 Library (19540 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V021-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0412?
Check Price and Availability of V021-0412, 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 V021-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0412
  • 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 V021-0412 available by request