4386-3837 Screening compound: (2Z)-3-ethyl-4-[4-(morpholine-4-sulfonyl)phenyl]-N-(4-phenoxyphenyl)-2,3-dihydro-1,3-thiazol-2-imine

4386-3837 Screening compound: (2Z)-3-ethyl-4-[4-(morpholine-4-sulfonyl)phenyl]-N-(4-phenoxyphenyl)-2,3-dihydro-1,3-thiazol-2-imine
4386-3837 Screening compound: (2Z)-3-ethyl-4-[4-(morpholine-4-sulfonyl)phenyl]-N-(4-phenoxyphenyl)-2,3-dihydro-1,3-thiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-3837
(2Z)-3-ethyl-4-[4-(morpholine-4-sulfonyl)phenyl]-N-(4-phenoxyphenyl)-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

4386-3837

Molecular Formula

C27H27N3O4S2 (C27 H27 N3 O4 S2)

Compound Name

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

IUPAC name

(2Z)-3-ethyl-4-[4-(morpholine-4-sulfonyl)phenyl]-N-(4-phenoxyphenyl)-23-dihydro-13-thiazol-2-imine

SMILES

CCN(C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)=CS1)/C1=N/c(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C27H27N3O4S2/c1-2-30-26(21-8-14-25(15-9-21)36(31,32)29-16-18-33-19-17-29)20-35-27(30)28-22-10-12-24(13-11-22)34-23-6-4-3-5-7-23/h3-15,20H,2,16-19H2,1H3

InChI Key

VBKBWDMACCURGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.588

Distribution Coefficient, logD

5.588

Water Solubility, LogSw

-5.61

Polar Surface Area

57.667

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4386-3837 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4386-3837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-3837?
Check Price and Availability of 4386-3837, 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 4386-3837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-3837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-3837
  • 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 4386-3837 available by request