V007-9221 Screening compound: 1-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-4-(3-nitrobenzenesulfonyl)piperazine

V007-9221 Screening compound: 1-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-4-(3-nitrobenzenesulfonyl)piperazine
V007-9221 Screening compound: 1-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-4-(3-nitrobenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-9221
1-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-4-(3-nitrobenzenesulfonyl)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

V007-9221

Molecular Formula

C23H30N4O7S2 (C23 H30 N4 O7 S2)

Compound Name

1-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-4-(3-nitrobenzenesulfonyl)piperazine

IUPAC name

1-{2-methoxy-5-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-4-(3-nitrobenzenesulfonyl)piperazine

SMILES

CC(CCC1)CN1S(c(cc1)cc(N(CC2)CCN2S(c2cc([N+]([O-])=O)ccc2)(=O)=O)c1OC)(=O)=O

InChI

InChI=1S/C23H30N4O7S2/c1-18-5-4-10-26(17-18)36(32,33)21-8-9-23(34-2)22(16-21)24-11-13-25(14-12-24)35(30,31)20-7-3-6-19(15-20)27(28)29/h3,6-9,15-16,18H,4-5,10-14,17H2,1-2H3/t18-/m0/s1

InChI Key

WPICQEQUBHBFFO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19950480

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.65

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.06

Polar Surface Area

107.565

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

V007-9221 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 V007-9221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-9221?
Check Price and Availability of V007-9221, 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 V007-9221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-9221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-9221
  • 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 V007-9221 available by request