C797-0985 Screening compound: [2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(4-fluorophenyl)piperazino]methanone

C797-0985 Screening compound: [2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(4-fluorophenyl)piperazino]methanone
C797-0985 Screening compound: [2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(4-fluorophenyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0985
[2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(4-fluorophenyl)piperazino]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

C797-0985

Molecular Formula

C28H25FN4O2S (C28 H25 FN4 O2 S)

Compound Name

[2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl][4-(4-fluorophenyl)piperazino]methanone

IUPAC name

4-(4-ethoxyphenyl)-10-[4-(4-fluorophenyl)piperazine-1-carbonyl]-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene

SMILES

CCOc(cc1)ccc1-c1cn(c(ccc(C(N(CC2)CCN2c(cc2)ccc2F)=O)c2)c2s2)c2n1

InChI

InChI=1S/C28H25FN4O2S/c1-2-35-23-10-3-19(4-11-23)24-18-33-25-12-5-20(17-26(25)36-28(33)30-24)27(34)32-15-13-31(14-16-32)22-8-6-21(29)7-9-22/h3-12,17-18H,2,13-16H2,1H3

InChI Key

UDICMGMGZPSKFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.535

Distribution Coefficient, logD

5.517

Water Solubility, LogSw

-5.30

Polar Surface Area

35.977

Acid Dissociation Constant (pKa)

28.00

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C797-0985 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 C797-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0985?
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What is the minimum amount of C797-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0985
  • 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 C797-0985 available by request