V013-2312 Screening compound: N-{[benzyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]methyl}-N-(3-methoxypropyl)-3,3-dimethylbutanamide

V013-2312 Screening compound: N-{[benzyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]methyl}-N-(3-methoxypropyl)-3,3-dimethylbutanamide
V013-2312 Screening compound: N-{[benzyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]methyl}-N-(3-methoxypropyl)-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2312
N-{[benzyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]methyl}-N-(3-methoxypropyl)-3,3-dimethylbutanamide

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

V013-2312

Molecular Formula

C31H40FN3O3 (C31 H40 FN3 O3)

Compound Name

N-{[benzyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]methyl}-N-(3-methoxypropyl)-3,3-dimethylbutanamide

IUPAC name

N-{[benzyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]methyl}-N-(3-methoxypropyl)-33-dimethylbutanamide

SMILES

CC(C)(C)CC(N(CCCOC)CC(N(Cc1cccn1Cc(cc1)ccc1F)Cc1ccccc1)=O)=O

InChI

InChI=1S/C31H40FN3O3/c1-31(2,3)20-29(36)34(18-9-19-38-4)24-30(37)35(22-25-10-6-5-7-11-25)23-28-12-8-17-33(28)21-26-13-15-27(32)16-14-26/h5-8,10-17H,9,18-24H2,1-4H3

InChI Key

PPWOFQFORJSWJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19736899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.054

Distribution Coefficient, logD

5.054

Water Solubility, LogSw

-4.59

Polar Surface Area

42.268

Acid Dissociation Constant (pKa)

23.43

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

V013-2312 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V013-2312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2312?
Check Price and Availability of V013-2312, 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 V013-2312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2312
  • 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 V013-2312 available by request