0988-0135 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-oxo-2H-chromene-3-carboxylate

0988-0135 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-oxo-2H-chromene-3-carboxylate
0988-0135 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-oxo-2H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0988-0135
2-(4-bromophenyl)-2-oxoethyl 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

0988-0135

Molecular Formula

C18H11BrO5 (C18 H11 BrO5)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 2-oxo-2H-chromene-3-carboxylate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 2-oxo-2H-chromene-3-carboxylate

SMILES

O=C(COC(C1=Cc(cccc2)c2OC1=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C18H11BrO5/c19-13-7-5-11(6-8-13)15(20)10-23-17(21)14-9-12-3-1-2-4-16(12)24-18(14)22/h1-9H,10H2

InChI Key

DGIXZRVPPOKQSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00382319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.19

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.454

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-3.74

Polar Surface Area

55.265

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

0988-0135 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 0988-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0988-0135?
Check Price and Availability of 0988-0135, 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 0988-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0988-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0988-0135
  • 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 0988-0135 available by request