7426-0133 Screening compound: 1-(4-{[2-(3-bromophenyl)-7,8-dihydroxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}phenyl)ethan-1-one

7426-0133 Screening compound: 1-(4-{[2-(3-bromophenyl)-7,8-dihydroxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}phenyl)ethan-1-one
7426-0133 Screening compound: 1-(4-{[2-(3-bromophenyl)-7,8-dihydroxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7426-0133
1-(4-{[2-(3-bromophenyl)-7,8-dihydroxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}phenyl)ethan-1-one

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

7426-0133

Molecular Formula

C21H21BrO7 (C21 H21 BrO7)

Compound Name

1-(4-{[2-(3-bromophenyl)-7,8-dihydroxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}phenyl)ethan-1-one

IUPAC name

1-(4-{[2-(3-bromophenyl)-78-dihydroxy-hexahydro-2H-pyrano[32-d][13]dioxin-6-yl]oxy}phenyl)ethan-1-one

SMILES

CC(c(cc1)ccc1OC(C(C1O)O)OC2C1OC(c1cccc(Br)c1)OC2)=O

InChI

InChI=1S/C21H21BrO7/c1-11(23)12-5-7-15(8-6-12)27-21-18(25)17(24)19-16(28-21)10-26-20(29-19)13-3-2-4-14(22)9-13/h2-9,16-21,24-25H,10H2,1H3

InChI Key

FPFBRQIPKFIBQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04330060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.109

Distribution Coefficient, logD

2.109

Water Solubility, LogSw

-2.71

Polar Surface Area

77.625

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

38.10

7426-0133 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7426-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7426-0133?
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What is the minimum amount of 7426-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7426-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7426-0133
  • 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 7426-0133 available by request