V016-9335 Screening compound: 4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide

V016-9335 Screening compound: 4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide
V016-9335 Screening compound: 4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9335
4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-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

V016-9335

Molecular Formula

C32H34N4O4S (C32 H34 N4 O4 S)

Compound Name

4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide

IUPAC name

4-[1-(34-dimethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide

SMILES

Cc(n(c(-c1ccccc1)c1)-c(cc2)cc(OC)c2OC)c1C(N(CC1)CCN1C(Nc(cc1)ccc1SC)=O)=O

InChI

InChI=1S/C32H34N4O4S/c1-22-27(31(37)34-16-18-35(19-17-34)32(38)33-24-10-13-26(41-4)14-11-24)21-28(23-8-6-5-7-9-23)36(22)25-12-15-29(39-2)30(20-25)40-3/h5-15,20-21H,16-19H2,1-4H3,(H,33,38)

InChI Key

LCIMDYXIGVFCDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14246847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.362

Distribution Coefficient, logD

5.362

Water Solubility, LogSw

-5.45

Polar Surface Area

58.847

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V016-9335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9335?
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What is the minimum amount of V016-9335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9335
  • 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 V016-9335 available by request