0449-0035 Screening compound: 3-[(6-deoxyhexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide

0449-0035 Screening compound: 3-[(6-deoxyhexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide
0449-0035 Screening compound: 3-[(6-deoxyhexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0449-0035
3-[(6-deoxyhexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide

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

0449-0035

Molecular Formula

C29H44O9 (C29 H44 O9)

Compound Name

3-[(6-deoxyhexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide

IUPAC name

n/a

SMILES

CC(C(C(C1O)O)O)OC1OC(CC1)CC(CC2)C1(CO)[C@@H](CCC1(C)C(CC3)C(CO4)=CC4=O)[C@@H]2C13O

InChI

InChI=1S/C29H44O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,15,17-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t15?,17?,18?,19?,20-,21-,23?,24?,25?,26?,27?,28?,29?/m1/s1

InChI Key

WPVGSIBYLZQSIK-JPLRMRRTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.695

Distribution Coefficient, logD

0.695

Water Solubility, LogSw

-2.82

Polar Surface Area

116.706

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

13.00

Percent sp3 carbon bonding

89.66

References: we are preparing a list of scientific research reports with 0449-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0449-0035?
Check Price and Availability of 0449-0035, 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 0449-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0449-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0449-0035
  • 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 0449-0035 available by request