1391-0606 Screening compound: 2-{2-[(3-fluorophenyl)amino]-1,3-thiazol-4-yl}-3H-benzo[f]chromen-3-one

1391-0606 Screening compound: 2-{2-[(3-fluorophenyl)amino]-1,3-thiazol-4-yl}-3H-benzo[f]chromen-3-one
1391-0606 Screening compound: 2-{2-[(3-fluorophenyl)amino]-1,3-thiazol-4-yl}-3H-benzo[f]chromen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1391-0606
2-{2-[(3-fluorophenyl)amino]-1,3-thiazol-4-yl}-3H-benzo[f]chromen-3-one

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

1391-0606

Molecular Formula

C22H13FN2O2S (C22 H13 FN2 O2 S)

Compound Name

2-{2-[(3-fluorophenyl)amino]-1,3-thiazol-4-yl}-3H-benzo[f]chromen-3-one

IUPAC name

2-{2-[(3-fluorophenyl)amino]-13-thiazol-4-yl}-3H-benzo[f]chromen-3-one

SMILES

O=C(C(c1csc(Nc2cc(F)ccc2)n1)=C1)Oc2c1c1ccccc1cc2

InChI

InChI=1S/C22H13FN2O2S/c23-14-5-3-6-15(10-14)24-22-25-19(12-28-22)18-11-17-16-7-2-1-4-13(16)8-9-20(17)27-21(18)26/h1-12H,(H,24,25)

InChI Key

PVZDTZYKUNQSHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.011

Distribution Coefficient, logD

6.011

Water Solubility, LogSw

-7.31

Polar Surface Area

39.576

Acid Dissociation Constant (pKa)

16.29

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1391-0606 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1391-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1391-0606?
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What is the minimum amount of 1391-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1391-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1391-0606
  • 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 1391-0606 available by request