1391-0598 Screening compound: 6-bromo-3-(2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)-2H-chromen-2-one

1391-0598 Screening compound: 6-bromo-3-(2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)-2H-chromen-2-one
1391-0598 Screening compound: 6-bromo-3-(2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1391-0598
6-bromo-3-(2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)-2H-chromen-2-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

1391-0598

Molecular Formula

C19H10BrF3N2O2S (C19 H10 BrF3 N2 O2 S)

Compound Name

6-bromo-3-(2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)-2H-chromen-2-one

IUPAC name

6-bromo-3-(2-{[3-(trifluoromethyl)phenyl]amino}-13-thiazol-4-yl)-2H-chromen-2-one

SMILES

O=C1Oc(ccc(Br)c2)c2C=C1c1csc(Nc2cc(C(F)(F)F)ccc2)n1

InChI

InChI=1S/C19H10BrF3N2O2S/c20-12-4-5-16-10(6-12)7-14(17(26)27-16)15-9-28-18(25-15)24-13-3-1-2-11(8-13)19(21,22)23/h1-9H,(H,24,25)

InChI Key

VWFNMCSMCIVOAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.505

Distribution Coefficient, logD

6.505

Water Solubility, LogSw

-6.38

Polar Surface Area

39.847

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

1391-0598 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1391-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1391-0598?
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What is the minimum amount of 1391-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1391-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1391-0598
  • 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 1391-0598 available by request