4386-3737 Screening compound: (2Z)-N-(2-methoxyphenyl)-3-methyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

4386-3737 Screening compound: (2Z)-N-(2-methoxyphenyl)-3-methyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine
4386-3737 Screening compound: (2Z)-N-(2-methoxyphenyl)-3-methyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-3737
(2Z)-N-(2-methoxyphenyl)-3-methyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

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

4386-3737

Molecular Formula

C21H23N3O3S2 (C21 H23 N3 O3 S2)

Compound Name

(2Z)-N-(2-methoxyphenyl)-3-methyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

IUPAC name

(2Z)-N-(2-methoxyphenyl)-3-methyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-23-dihydro-13-thiazol-2-imine

SMILES

CN(C(c(cc1)ccc1S(N1CCCC1)(=O)=O)=CS1)/C1=N/c(cccc1)c1OC

InChI

InChI=1S/C21H23N3O3S2/c1-23-19(15-28-21(23)22-18-7-3-4-8-20(18)27-2)16-9-11-17(12-10-16)29(25,26)24-13-5-6-14-24/h3-4,7-12,15H,5-6,13-14H2,1-2H3

InChI Key

ZNZRSYWTYDUJAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821984

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-4.10

Polar Surface Area

50.350

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4386-3737 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4386-3737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-3737?
Check Price and Availability of 4386-3737, 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 4386-3737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-3737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-3737
  • 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 4386-3737 available by request