6470-0012 Screening compound: 1,3-bis(prop-2-en-1-yl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

6470-0012 Screening compound: 1,3-bis(prop-2-en-1-yl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
6470-0012 Screening compound: 1,3-bis(prop-2-en-1-yl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6470-0012
1,3-bis(prop-2-en-1-yl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

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

6470-0012

Molecular Formula

C21H24O7 (C21 H24 O7)

Compound Name

1,3-bis(prop-2-en-1-yl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

IUPAC name

13-bis(prop-2-en-1-yl) 4-hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-13-dicarboxylate

SMILES

CC(CC(C(C1c(cc2)ccc2O)C(OCC=C)=O)=O)(C1C(OCC=C)=O)O

InChI

InChI=1S/C21H24O7/c1-4-10-27-19(24)17-15(23)12-21(3,26)18(20(25)28-11-5-2)16(17)13-6-8-14(22)9-7-13/h4-9,16-18,22,26H,1-2,10-12H2,3H3

InChI Key

YHJCSIOLDRUTFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03883633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.208

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-2.17

Polar Surface Area

88.445

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.10

6470-0012 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6470-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6470-0012?
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What is the minimum amount of 6470-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6470-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6470-0012
  • 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 6470-0012 available by request