V020-7894 Screening compound: (4-{[7-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}piperazino)(3-nitrophenyl)methanone

V020-7894 Screening compound: (4-{[7-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}piperazino)(3-nitrophenyl)methanone
V020-7894 Screening compound: (4-{[7-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}piperazino)(3-nitrophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-7894
(4-{[7-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}piperazino)(3-nitrophenyl)methanone

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

V020-7894

Molecular Formula

C29H27N5O4S (C29 H27 N5 O4 S)

Compound Name

(4-{[7-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}piperazino)(3-nitrophenyl)methanone

IUPAC name

10-methoxy-4-(4-methylphenyl)-3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene

SMILES

Cc(cc1)ccc1-c1c(CN(CC2)CCN2C(c2cc([N+]([O-])=O)ccc2)=O)n(c(ccc(OC)c2)c2s2)c2n1

InChI

InChI=1S/C29H27N5O4S/c1-19-6-8-20(9-7-19)27-25(33-24-11-10-23(38-2)17-26(24)39-29(33)30-27)18-31-12-14-32(15-13-31)28(35)21-4-3-5-22(16-21)34(36)37/h3-11,16-17H,12-15,18H2,1-2H3

InChI Key

ZNCOOIIPFUYGSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790203

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-4.69

Polar Surface Area

69.867

Acid Dissociation Constant (pKa)

26.93

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V020-7894 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V020-7894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-7894?
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What is the minimum amount of V020-7894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-7894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-7894
  • 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 V020-7894 available by request