2188-1743 Screening compound: (2Z)-3-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

2188-1743 Screening compound: (2Z)-3-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
2188-1743 Screening compound: (2Z)-3-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1743
(2Z)-3-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

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

2188-1743

Molecular Formula

C23H16N2O4S (C23 H16 N2 O4 S)

Compound Name

(2Z)-3-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

IUPAC name

(2Z)-3-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]prop-2-enenitrile

SMILES

CCOc(cc(/C=C(\c1nc(C2=Cc(cccc3)c3OC2=O)cs1)/C#N)cc1)c1O

InChI

InChI=1S/C23H16N2O4S/c1-2-28-21-10-14(7-8-19(21)26)9-16(12-24)22-25-18(13-30-22)17-11-15-5-3-4-6-20(15)29-23(17)27/h3-11,13,26H,2H2,1H3

InChI Key

KOERAINZQDPJLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00335753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.574

Distribution Coefficient, logD

4.572

Water Solubility, LogSw

-4.28

Polar Surface Area

71.437

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 2188-1743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1743?
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What is the minimum amount of 2188-1743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1743
  • 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 2188-1743 available by request