4386-3809 Screening compound: (2Z)-N-(4-ethoxyphenyl)-3-ethyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

4386-3809 Screening compound: (2Z)-N-(4-ethoxyphenyl)-3-ethyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine
4386-3809 Screening compound: (2Z)-N-(4-ethoxyphenyl)-3-ethyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-3809
(2Z)-N-(4-ethoxyphenyl)-3-ethyl-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

4386-3809

Molecular Formula

C23H27N3O3S2 (C23 H27 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(c(cc1)ccc1S(N1CCCC1)(=O)=O)=CS1)/C1=N/c(cc1)ccc1OCC

InChI

InChI=1S/C23H27N3O3S2/c1-3-26-22(17-30-23(26)24-19-9-11-20(12-10-19)29-4-2)18-7-13-21(14-8-18)31(27,28)25-15-5-6-16-25/h7-14,17H,3-6,15-16H2,1-2H3

InChI Key

YEEBSYWQFHJYEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819626

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

457.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.926

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.39

Polar Surface Area

50.500

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with 4386-3809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-3809?
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What is the minimum amount of 4386-3809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-3809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-3809
  • 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 4386-3809 available by request