8171-0001 Screening compound: 7,8-dimethoxy-2-phenyl-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-ol

8171-0001 Screening compound: 7,8-dimethoxy-2-phenyl-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-ol
8171-0001 Screening compound: 7,8-dimethoxy-2-phenyl-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8171-0001
7,8-dimethoxy-2-phenyl-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-ol

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

8171-0001

Molecular Formula

C18H16N2O3S (C18 H16 N2 O3 S)

Compound Name

7,8-dimethoxy-2-phenyl-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-ol

IUPAC name

45-dimethoxy-11-phenyl-10-thia-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaen-13-ol

SMILES

COc(c(OC)c1)cc(n23)c1nc2SC(c1ccccc1)=CC3O

InChI

InChI=1S/C18H16N2O3S/c1-22-14-8-12-13(9-15(14)23-2)20-17(21)10-16(24-18(20)19-12)11-6-4-3-5-7-11/h3-10,17,21H,1-2H3/t17-/m1/s1

InChI Key

BSIKMPMBVHRXQX-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06753043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.15

Polar Surface Area

42.827

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8171-0001 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8171-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8171-0001?
Check Price and Availability of 8171-0001, 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 8171-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8171-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8171-0001
  • 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 8171-0001 available by request