6414-0730 Screening compound: 2-{(E)-1-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

6414-0730 Screening compound: 2-{(E)-1-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one
6414-0730 Screening compound: 2-{(E)-1-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6414-0730
2-{(E)-1-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-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

6414-0730

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

2-{(E)-1-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

IUPAC name

(4E)-4-{[25-dimethoxy-4-(pyrrolidin-1-yl)phenyl]methylidene}-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

COc(cc1N2CCCC2)c(/C=C2/Sc3nc(cccc4)c4n3C2=O)cc1OC

InChI

InChI=1S/C22H21N3O3S/c1-27-18-13-17(24-9-5-6-10-24)19(28-2)11-14(18)12-20-21(26)25-16-8-4-3-7-15(16)23-22(25)29-20/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3

InChI Key

BTVKCRHHJDNWTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03923442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.556

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.42

Polar Surface Area

43.231

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

6414-0730 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6414-0730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6414-0730?
Check Price and Availability of 6414-0730, 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 6414-0730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6414-0730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6414-0730
  • 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 6414-0730 available by request