6134-4264 Screening compound: 2-[2-chloro-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]acetic acid

6134-4264 Screening compound: 2-[2-chloro-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]acetic acid
6134-4264 Screening compound: 2-[2-chloro-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6134-4264
2-[2-chloro-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]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

6134-4264

Molecular Formula

C22H21ClO7 (C22 H21 ClO7)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(C2C(C(CCC3)=O)=C3OC(CCC3)=C2C3=O)cc(Cl)c1OCC(O)=O

InChI

InChI=1S/C22H21ClO7/c1-28-17-9-11(8-12(23)22(17)29-10-18(26)27)19-20-13(24)4-2-6-15(20)30-16-7-3-5-14(25)21(16)19/h8-9,19H,2-7,10H2,1H3,(H,26,27)

InChI Key

YXRCHEOXRKBQDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05625208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.86

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

-1.231

Water Solubility, LogSw

-3.17

Polar Surface Area

77.084

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

6134-4264 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6134-4264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6134-4264?
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What is the minimum amount of 6134-4264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6134-4264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6134-4264
  • 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 6134-4264 available by request