G856-6285 Screening compound: tert-butyl 2-{[3-(4-bromophenyl)-4-methyl-2-oxo-2H-chromen-6-yl]oxy}acetate

G856-6285 Screening compound: tert-butyl 2-{[3-(4-bromophenyl)-4-methyl-2-oxo-2H-chromen-6-yl]oxy}acetate
G856-6285 Screening compound: tert-butyl 2-{[3-(4-bromophenyl)-4-methyl-2-oxo-2H-chromen-6-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6285
tert-butyl 2-{[3-(4-bromophenyl)-4-methyl-2-oxo-2H-chromen-6-yl]oxy}acetate

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

G856-6285

Molecular Formula

C22H21BrO5 (C22 H21 BrO5)

Compound Name

tert-butyl 2-{[3-(4-bromophenyl)-4-methyl-2-oxo-2H-chromen-6-yl]oxy}acetate

IUPAC name

tert-butyl 2-{[3-(4-bromophenyl)-4-methyl-2-oxo-2H-chromen-6-yl]oxy}acetate

SMILES

CC(C)(C)OC(COc(cc1)cc(C(C)=C2c(cc3)ccc3Br)c1OC2=O)=O

InChI

InChI=1S/C22H21BrO5/c1-13-17-11-16(26-12-19(24)28-22(2,3)4)9-10-18(17)27-21(25)20(13)14-5-7-15(23)8-6-14/h5-11H,12H2,1-4H3

InChI Key

LSOLFOWFGCQKAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05940429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.415

Distribution Coefficient, logD

5.415

Water Solubility, LogSw

-5.52

Polar Surface Area

47.656

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G856-6285 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-6285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6285?
Check Price and Availability of G856-6285, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G856-6285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6285
  • 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 G856-6285 available by request