E235-1609 Screening compound: 1-azepanyl[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl]methanone

E235-1609 Screening compound: 1-azepanyl[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl]methanone
E235-1609 Screening compound: 1-azepanyl[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E235-1609
1-azepanyl[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-7-yl]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

E235-1609

Molecular Formula

C22H20FN3OS (C22 H20 FN3 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(s2)c1n1c2nc(-c(cc2)ccc2F)c1)N1CCCCCC1

InChI

InChI=1S/C22H20FN3OS/c23-17-8-5-15(6-9-17)18-14-26-19-10-7-16(13-20(19)28-22(26)24-18)21(27)25-11-3-1-2-4-12-25/h5-10,13-14H,1-4,11-12H2

InChI Key

ZVUNDQXGCGWGCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-4.74

Polar Surface Area

25.924

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E235-1609 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E235-1609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E235-1609?
Check Price and Availability of E235-1609, 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 E235-1609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E235-1609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E235-1609
  • 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 E235-1609 available by request