8006-5303 Screening compound: 6-bromo-3-{2-[(naphthalen-1-yl)amino]-1,3-thiazol-4-yl}-2H-chromen-2-one

8006-5303 Screening compound: 6-bromo-3-{2-[(naphthalen-1-yl)amino]-1,3-thiazol-4-yl}-2H-chromen-2-one
8006-5303 Screening compound: 6-bromo-3-{2-[(naphthalen-1-yl)amino]-1,3-thiazol-4-yl}-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5303
6-bromo-3-{2-[(naphthalen-1-yl)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

8006-5303

Molecular Formula

C22H13BrN2O2S (C22 H13 BrN2 O2 S)

Compound Name

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

IUPAC name

6-bromo-3-{2-[(naphthalen-1-yl)amino]-13-thiazol-4-yl}-2H-chromen-2-one

SMILES

O=C1Oc(ccc(Br)c2)c2C=C1c1csc(Nc2cccc3ccccc23)n1

InChI

InChI=1S/C22H13BrN2O2S/c23-15-8-9-20-14(10-15)11-17(21(26)27-20)19-12-28-22(25-19)24-18-7-3-5-13-4-1-2-6-16(13)18/h1-12H,(H,24,25)

InChI Key

LRCFNOLYQLKWHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.33

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

6.290

Distribution Coefficient, logD

6.290

Water Solubility, LogSw

-7.25

Polar Surface Area

38.878

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-5303 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 8006-5303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5303?
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What is the minimum amount of 8006-5303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5303
  • 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 8006-5303 available by request