V016-5896 Screening compound: 1-(3,5-dinitrobenzoyl)-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperazine

V016-5896 Screening compound: 1-(3,5-dinitrobenzoyl)-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperazine
V016-5896 Screening compound: 1-(3,5-dinitrobenzoyl)-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5896
1-(3,5-dinitrobenzoyl)-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methyl-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

V016-5896

Molecular Formula

C31H29N5O8 (C31 H29 N5 O8)

Compound Name

1-(3,5-dinitrobenzoyl)-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperazine

IUPAC name

1-(35-dinitrobenzoyl)-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperazine

SMILES

Cc(n(c(-c(cc1)ccc1OC)c1)-c2cc(OC)ccc2)c1C(N(CC1)CCN1C(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O)=O

InChI

InChI=1S/C31H29N5O8/c1-20-28(19-29(21-7-9-26(43-2)10-8-21)34(20)23-5-4-6-27(18-23)44-3)31(38)33-13-11-32(12-14-33)30(37)22-15-24(35(39)40)17-25(16-22)36(41)42/h4-10,15-19H,11-14H2,1-3H3

InChI Key

RGVLOFJRHICSTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14247019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.6

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.775

Distribution Coefficient, logD

4.775

Water Solubility, LogSw

-4.60

Polar Surface Area

116.616

Acid Dissociation Constant (pKa)

28.89

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

References: we are preparing a list of scientific research reports with V016-5896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5896?
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What is the minimum amount of V016-5896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5896
  • 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 V016-5896 available by request