2041-2493 Screening compound: ethyl 4-{[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]amino}benzoate

2041-2493 Screening compound: ethyl 4-{[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]amino}benzoate
2041-2493 Screening compound: ethyl 4-{[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2041-2493
ethyl 4-{[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]amino}benzoate

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

2041-2493

Molecular Formula

C21H16N2O4S (C21 H16 N2 O4 S)

Compound Name

ethyl 4-{[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]amino}benzoate

IUPAC name

ethyl 4-{[4-(2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1Nc1nc(C2=Cc(cccc3)c3OC2=O)cs1)=O

InChI

InChI=1S/C21H16N2O4S/c1-2-26-19(24)13-7-9-15(10-8-13)22-21-23-17(12-28-21)16-11-14-5-3-4-6-18(14)27-20(16)25/h3-12H,2H2,1H3,(H,22,23)

InChI Key

ZOGNTLBJKXKSRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.44

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

5.324

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.36

Polar Surface Area

60.601

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

2041-2493 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 2041-2493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2041-2493?
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What is the minimum amount of 2041-2493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2041-2493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2041-2493
  • 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 2041-2493 available by request