V021-1142 Screening compound: 3-methyl-1-{4-[(7-nitro-2-phenylimidazo[2,1-b][1,3]benzothiazol-3-yl)methyl]piperazino}-1-butanone

V021-1142 Screening compound: 3-methyl-1-{4-[(7-nitro-2-phenylimidazo[2,1-b][1,3]benzothiazol-3-yl)methyl]piperazino}-1-butanone
V021-1142 Screening compound: 3-methyl-1-{4-[(7-nitro-2-phenylimidazo[2,1-b][1,3]benzothiazol-3-yl)methyl]piperazino}-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1142
3-methyl-1-{4-[(7-nitro-2-phenylimidazo[2,1-b][1,3]benzothiazol-3-yl)methyl]piperazino}-1-butanone

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

V021-1142

Molecular Formula

C25H27N5O3S (C25 H27 N5 O3 S)

Compound Name

3-methyl-1-{4-[(7-nitro-2-phenylimidazo[2,1-b][1,3]benzothiazol-3-yl)methyl]piperazino}-1-butanone

IUPAC name

3-methyl-1-[4-({10-nitro-4-phenyl-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-yl}methyl)piperazin-1-yl]butan-1-one

SMILES

CC(C)CC(N1CCN(Cc2c(-c3ccccc3)nc3sc(cc(cc4)[N+]([O-])=O)c4n23)CC1)=O

InChI

InChI=1S/C25H27N5O3S/c1-17(2)14-23(31)28-12-10-27(11-13-28)16-21-24(18-6-4-3-5-7-18)26-25-29(21)20-9-8-19(30(32)33)15-22(20)34-25/h3-9,15,17H,10-14,16H2,1-2H3

InChI Key

BOYSYMNYVKUOOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791888

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.329

Distribution Coefficient, logD

4.320

Water Solubility, LogSw

-4.19

Polar Surface Area

62.067

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V021-1142 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V021-1142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1142?
Check Price and Availability of V021-1142, 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 V021-1142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1142
  • 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 V021-1142 available by request