3057-1247 Screening compound: 2-tert-butylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate

3057-1247 Screening compound: 2-tert-butylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
3057-1247 Screening compound: 2-tert-butylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3057-1247
2-tert-butylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate

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

3057-1247

Molecular Formula

C20H17BrO4 (C20 H17 BrO4)

Compound Name

2-tert-butylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate

IUPAC name

2-tert-butylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate

SMILES

CC(C)(C)c(cccc1)c1OC(C1=Cc(cc(cc2)Br)c2OC1=O)=O

InChI

InChI=1S/C20H17BrO4/c1-20(2,3)15-6-4-5-7-17(15)25-19(23)14-11-12-10-13(21)8-9-16(12)24-18(14)22/h4-11H,1-3H3

InChI Key

SPONXTUIIXVZIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02341138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

5.130

Water Solubility, LogSw

-5.17

Polar Surface Area

41.625

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3057-1247 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3057-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3057-1247?
Check Price and Availability of 3057-1247, 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 3057-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3057-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3057-1247
  • 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 3057-1247 available by request