V006-9722 Screening compound: methyl 2-{[(4-{[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)sulfonyl]methyl}benzoate

V006-9722 Screening compound: methyl 2-{[(4-{[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)sulfonyl]methyl}benzoate
V006-9722 Screening compound: methyl 2-{[(4-{[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)sulfonyl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9722
methyl 2-{[(4-{[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)sulfonyl]methyl}benzoate

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

V006-9722

Molecular Formula

C33H31N5O6S (C33 H31 N5 O6 S)

Compound Name

methyl 2-{[(4-{[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)sulfonyl]methyl}benzoate

IUPAC name

methyl 2-{[(4-{[6-(3-nitrophenyl)-2-phenylimidazo[12-a]pyridin-3-yl]methyl}piperazin-1-yl)sulfonyl]methyl}benzoate

SMILES

COC(c1c(CS(N2CCN(Cc3c(-c4ccccc4)nc(cc4)n3cc4-c3cc([N+]([O-])=O)ccc3)CC2)(=O)=O)cccc1)=O

InChI

InChI=1S/C33H31N5O6S/c1-44-33(39)29-13-6-5-10-27(29)23-45(42,43)36-18-16-35(17-19-36)22-30-32(24-8-3-2-4-9-24)34-31-15-14-26(21-37(30)31)25-11-7-12-28(20-25)38(40)41/h2-15,20-21H,16-19,22-23H2,1H3

InChI Key

DPQVEETXEYHMTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496774

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

625.71

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.164

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-4.89

Polar Surface Area

97.927

Acid Dissociation Constant (pKa)

19.06

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.20

V006-9722 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 V006-9722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9722?
Check Price and Availability of V006-9722, 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 V006-9722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9722
  • 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 V006-9722 available by request