7770-3940 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

7770-3940 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide
7770-3940 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7770-3940
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

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

7770-3940

Molecular Formula

C25H22N4O5S (C25 H22 N4 O5 S)

Compound Name

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

IUPAC name

N-[5-(13-benzothiazol-2-yl)-2-methoxyphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

SMILES

COc(ccc(-c1nc(cccc2)c2s1)c1)c1NC(c(cc(cc1)[N+]([O-])=O)c1N1CCOCC1)=O

InChI

InChI=1S/C25H22N4O5S/c1-33-22-9-6-16(25-27-19-4-2-3-5-23(19)35-25)14-20(22)26-24(30)18-15-17(29(31)32)7-8-21(18)28-10-12-34-13-11-28/h2-9,14-15H,10-13H2,1H3,(H,26,30)

InChI Key

WOIIJLJYSBGKRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08592870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

4.837

Water Solubility, LogSw

-4.59

Polar Surface Area

84.153

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7770-3940 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7770-3940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7770-3940?
Check Price and Availability of 7770-3940, 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 7770-3940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7770-3940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7770-3940
  • 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 7770-3940 available by request