4718-0376 Screening compound: 3-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-1-(4-ethoxybenzoyl)thiourea

4718-0376 Screening compound: 3-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-1-(4-ethoxybenzoyl)thiourea
4718-0376 Screening compound: 3-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-1-(4-ethoxybenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4718-0376
3-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-1-(4-ethoxybenzoyl)thiourea

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

4718-0376

Molecular Formula

C23H19N3O3S2 (C23 H19 N3 O3 S2)

Compound Name

3-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-1-(4-ethoxybenzoyl)thiourea

IUPAC name

3-[3-(13-benzothiazol-2-yl)-4-hydroxyphenyl]-1-(4-ethoxybenzoyl)thiourea

SMILES

CCOc(cc1)ccc1C(NC(Nc(cc1)cc(-c2nc(cccc3)c3s2)c1O)=S)=O

InChI

InChI=1S/C23H19N3O3S2/c1-2-29-16-10-7-14(8-11-16)21(28)26-23(30)24-15-9-12-19(27)17(13-15)22-25-18-5-3-4-6-20(18)31-22/h3-13,27H,2H2,1H3,(H2,24,26,28,30)

InChI Key

SWEISNCINLQKTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02919066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.233

Distribution Coefficient, logD

6.232

Water Solubility, LogSw

-5.29

Polar Surface Area

66.360

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4718-0376 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4718-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4718-0376?
Check Price and Availability of 4718-0376, 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 4718-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4718-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4718-0376
  • 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 4718-0376 available by request