E676-4359 Screening compound: 5-chloro-N~2~-[2-(diethylamino)ethyl]-N~2~-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl-2-thiophenecarboxamide

E676-4359 Screening compound: 5-chloro-N~2~-[2-(diethylamino)ethyl]-N~2~-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl-2-thiophenecarboxamide
E676-4359 Screening compound: 5-chloro-N~2~-[2-(diethylamino)ethyl]-N~2~-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-4359
5-chloro-N~2~-[2-(diethylamino)ethyl]-N~2~-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl-2-thiophenecarboxamide

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

E676-4359

Molecular Formula

C19H20ClN3O3S2 (C19 H20 ClN3 O3 S2)

Compound Name

5-chloro-N~2~-[2-(diethylamino)ethyl]-N~2~-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl-2-thiophenecarboxamide

IUPAC name

5-chloro-N-[2-(diethylamino)ethyl]-N-{46-dioxa-10-thia-12-azatricyclo[7.3.0.0^{37}]dodeca-1(9)2711-tetraen-11-yl}thiophene-2-carboxamide

SMILES

CCN(CC)CCN(C(c(s1)ccc1Cl)=O)c1nc(cc2OCOc2c2)c2s1

InChI

InChI=1S/C19H20ClN3O3S2/c1-3-22(4-2)7-8-23(18(24)15-5-6-17(20)27-15)19-21-12-9-13-14(26-11-25-13)10-16(12)28-19/h5-6,9-10H,3-4,7-8,11H2,1-2H3

InChI Key

XCXGTBUHIKBSLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985345

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

437.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.237

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-5.54

Polar Surface Area

46.920

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E676-4359 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E676-4359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-4359?
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What is the minimum amount of E676-4359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-4359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-4359
  • 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 E676-4359 available by request