6134-4273 Screening compound: 2-[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-ethoxyphenoxy]acetic acid

6134-4273 Screening compound: 2-[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-ethoxyphenoxy]acetic acid
6134-4273 Screening compound: 2-[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-ethoxyphenoxy]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6134-4273
2-[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-ethoxyphenoxy]acetic acid

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

6134-4273

Molecular Formula

C23H23BrO7 (C23 H23 BrO7)

Compound Name

2-[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-ethoxyphenoxy]acetic acid

IUPAC name

2-[2-bromo-4-(18-dioxo-23456789-octahydro-1H-xanthen-9-yl)-6-ethoxyphenoxy]acetic acid

SMILES

CCOc1cc(C2C(C(CCC3)=O)=C3OC(CCC3)=C2C3=O)cc(Br)c1OCC(O)=O

InChI

InChI=1S/C23H23BrO7/c1-2-29-18-10-12(9-13(24)23(18)30-11-19(27)28)20-21-14(25)5-3-7-16(21)31-17-8-4-6-15(26)22(17)20/h9-10,20H,2-8,11H2,1H3,(H,27,28)

InChI Key

LFIAZWYEJLQCRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05625209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

-1.058

Water Solubility, LogSw

-3.35

Polar Surface Area

76.664

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with 6134-4273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6134-4273?
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What is the minimum amount of 6134-4273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6134-4273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6134-4273
  • 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 6134-4273 available by request