V018-3160 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(4-ethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]piperazine

V018-3160 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(4-ethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]piperazine
V018-3160 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(4-ethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3160
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(4-ethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]piperazine

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

V018-3160

Molecular Formula

C32H33N3O4 (C32 H33 N3 O4)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(4-ethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-[1-(4-ethoxyphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carbonyl]piperazine

SMILES

CCOc(cc1)ccc1-n1c(-c2ccccc2)cc(C(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)c1C

InChI

InChI=1S/C32H33N3O4/c1-3-37-27-12-10-26(11-13-27)35-23(2)28(20-29(35)25-7-5-4-6-8-25)32(36)34-17-15-33(16-18-34)21-24-9-14-30-31(19-24)39-22-38-30/h4-14,19-20H,3,15-18,21-22H2,1-2H3

InChI Key

IQFRDQQZMJWNSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14246155

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

523.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.421

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.45

Polar Surface Area

46.089

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

V018-3160 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-3160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3160?
Check Price and Availability of V018-3160, 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 V018-3160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3160
  • 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 V018-3160 available by request