V011-7993 Screening compound: N-butyl-3-{5-(2,4-dimethylphenyl)-1-[4-(2-nitriloethyl)phenyl]-1H-pyrrol-2-yl}-N-ethylpropanamide

V011-7993 Screening compound: N-butyl-3-{5-(2,4-dimethylphenyl)-1-[4-(2-nitriloethyl)phenyl]-1H-pyrrol-2-yl}-N-ethylpropanamide
V011-7993 Screening compound: N-butyl-3-{5-(2,4-dimethylphenyl)-1-[4-(2-nitriloethyl)phenyl]-1H-pyrrol-2-yl}-N-ethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-7993
N-butyl-3-{5-(2,4-dimethylphenyl)-1-[4-(2-nitriloethyl)phenyl]-1H-pyrrol-2-yl}-N-ethylpropanamide

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

V011-7993

Molecular Formula

C29H35N3O (C29 H35 N3 O)

Compound Name

N-butyl-3-{5-(2,4-dimethylphenyl)-1-[4-(2-nitriloethyl)phenyl]-1H-pyrrol-2-yl}-N-ethylpropanamide

IUPAC name

N-butyl-3-{1-[4-(cyanomethyl)phenyl]-5-(24-dimethylphenyl)-1H-pyrrol-2-yl}-N-ethylpropanamide

SMILES

CCCCN(CC)C(CCc1ccc(-c2c(C)cc(C)cc2)n1-c1ccc(CC#N)cc1)=O

InChI

InChI=1S/C29H35N3O/c1-5-7-20-31(6-2)29(33)17-14-26-13-16-28(27-15-8-22(3)21-23(27)4)32(26)25-11-9-24(10-12-25)18-19-30/h8-13,15-16,21H,5-7,14,17-18,20H2,1-4H3

InChI Key

LPECRYJRANUITM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.092

Distribution Coefficient, logD

6.092

Water Solubility, LogSw

-5.32

Polar Surface Area

34.546

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.93

References: we are preparing a list of scientific research reports with V011-7993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-7993?
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What is the minimum amount of V011-7993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-7993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-7993
  • 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 V011-7993 available by request