3130-1400 Screening compound: 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-methylpropanoate

3130-1400 Screening compound: 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-methylpropanoate
3130-1400 Screening compound: 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-methylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3130-1400
3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-methylpropanoate

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

3130-1400

Molecular Formula

C19H15BrO5 (C19 H15 BrO5)

Compound Name

3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-methylpropanoate

IUPAC name

3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-methylpropanoate

SMILES

CC(C)C(Oc(cc1)cc(OC=C2Oc(cccc3)c3Br)c1C2=O)=O

InChI

InChI=1S/C19H15BrO5/c1-11(2)19(22)24-12-7-8-13-16(9-12)23-10-17(18(13)21)25-15-6-4-3-5-14(15)20/h3-11H,1-2H3

InChI Key

LBOSUKSMOKHUMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.444

Distribution Coefficient, logD

4.444

Water Solubility, LogSw

-4.55

Polar Surface Area

48.306

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3130-1400 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3130-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3130-1400?
Check Price and Availability of 3130-1400, 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 3130-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3130-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3130-1400
  • 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 3130-1400 available by request