4386-3639 Screening compound: (2Z)-N-phenyl-3-(2-phenylethyl)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

4386-3639 Screening compound: (2Z)-N-phenyl-3-(2-phenylethyl)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine
4386-3639 Screening compound: (2Z)-N-phenyl-3-(2-phenylethyl)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-3639
(2Z)-N-phenyl-3-(2-phenylethyl)-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

4386-3639

Molecular Formula

C27H27N3O2S2 (C27 H27 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(c(cc1)ccc1C(N1CCc2ccccc2)=CS/C1=N\c1ccccc1)(N1CCCC1)=O

InChI

InChI=1S/C27H27N3O2S2/c31-34(32,29-18-7-8-19-29)25-15-13-23(14-16-25)26-21-33-27(28-24-11-5-2-6-12-24)30(26)20-17-22-9-3-1-4-10-22/h1-6,9-16,21H,7-8,17-20H2

InChI Key

DFTWXBTZHXSYFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03463741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.837

Distribution Coefficient, logD

5.837

Water Solubility, LogSw

-6.04

Polar Surface Area

43.358

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 4386-3639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-3639?
Check Price and Availability of 4386-3639, 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 4386-3639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-3639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-3639
  • 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 4386-3639 available by request