3341-3932 Screening compound: 2-(3-nitrophenyl)-2,3-dihydro-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-one

3341-3932 Screening compound: 2-(3-nitrophenyl)-2,3-dihydro-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-one
3341-3932 Screening compound: 2-(3-nitrophenyl)-2,3-dihydro-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-3932
2-(3-nitrophenyl)-2,3-dihydro-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-one

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

3341-3932

Molecular Formula

C16H11N3O3S (C16 H11 N3 O3 S)

Compound Name

2-(3-nitrophenyl)-2,3-dihydro-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-one

IUPAC name

11-(3-nitrophenyl)-10-thia-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-13-one

SMILES

[O-][N+](c1cccc(C(C2)Sc3nc(cccc4)c4n3C2=O)c1)=O

InChI

InChI=1S/C16H11N3O3S/c20-15-9-14(10-4-3-5-11(8-10)19(21)22)23-16-17-12-6-1-2-7-13(12)18(15)16/h1-8,14H,9H2/t14-/m0/s1

InChI Key

ZQRMBNJTHJWGOB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02220723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.65

Polar Surface Area

57.746

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

3341-3932 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

DGK Inhibitors Library (10558 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3341-3932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-3932?
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What is the minimum amount of 3341-3932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-3932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-3932
  • 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 3341-3932 available by request