1246-0873 Screening compound: 6-bromo-3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-one

1246-0873 Screening compound: 6-bromo-3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-one
1246-0873 Screening compound: 6-bromo-3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0873
6-bromo-3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-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

1246-0873

Molecular Formula

C20H14BrNO2S (C20 H14 BrNO2 S)

Compound Name

6-bromo-3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-one

IUPAC name

6-bromo-3-[4-(24-dimethylphenyl)-13-thiazol-2-yl]-2H-chromen-2-one

SMILES

Cc(cc1)cc(C)c1-c1csc(C2=Cc(cc(cc3)Br)c3OC2=O)n1

InChI

InChI=1S/C20H14BrNO2S/c1-11-3-5-15(12(2)7-11)17-10-25-19(22-17)16-9-13-8-14(21)4-6-18(13)24-20(16)23/h3-10H,1-2H3

InChI Key

KGXJPDNBESIRGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00376217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.161

Distribution Coefficient, logD

6.161

Water Solubility, LogSw

-5.51

Polar Surface Area

30.622

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1246-0873 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1246-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0873?
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What is the minimum amount of 1246-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0873
  • 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 1246-0873 available by request