V007-2023 Screening compound: 2-chloro-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-4-nitrobenzamide

V007-2023 Screening compound: 2-chloro-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-4-nitrobenzamide
V007-2023 Screening compound: 2-chloro-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-2023
2-chloro-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-4-nitrobenzamide

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

V007-2023

Molecular Formula

C29H30ClN5O5 (C29 H30 ClN5 O5)

Compound Name

2-chloro-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-4-nitrobenzamide

IUPAC name

2-chloro-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-4-nitrobenzamide

SMILES

COc(cccc1)c1N(CC1)CCN1c(ccc(NC(c(ccc([N+]([O-])=O)c1)c1Cl)=O)c1)c1C(N1CCCC1)=O

InChI

InChI=1S/C29H30ClN5O5/c1-40-27-7-3-2-6-26(27)33-16-14-32(15-17-33)25-11-8-20(18-23(25)29(37)34-12-4-5-13-34)31-28(36)22-10-9-21(35(38)39)19-24(22)30/h2-3,6-11,18-19H,4-5,12-17H2,1H3,(H,31,36)

InChI Key

ZSFMJXBAQDOVEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14240459

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

564.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.204

Distribution Coefficient, logD

5.204

Water Solubility, LogSw

-5.68

Polar Surface Area

87.467

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V007-2023 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 V007-2023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-2023?
Check Price and Availability of V007-2023, 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 V007-2023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-2023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-2023
  • 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 V007-2023 available by request