N027-0017 Screening compound: 1,3,6,7-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-one

N027-0017 Screening compound: 1,3,6,7-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-one
N027-0017 Screening compound: 1,3,6,7-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N027-0017
1,3,6,7-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-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

N027-0017

Molecular Formula

C19H18O12 (C19 H18 O12)

Compound Name

1,3,6,7-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-one

IUPAC name

1367-tetrahydroxy-2-{[345-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-one

SMILES

OCC(C(C(C1O)O)O)OC1Oc(c(O)c(c(Oc(cc1O)c2cc1O)c1)C2=O)c1O

InChI

InChI=1S/C19H18O12/c20-4-11-14(25)16(27)17(28)19(30-11)31-18-8(23)3-10-12(15(18)26)13(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,14,16-17,19-23,25-28H,4H2

InChI Key

TXKFRRCKZWJXBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.34

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

8.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.595

Distribution Coefficient, logD

-3.211

Water Solubility, LogSw

-1.56

Polar Surface Area

165.354

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

31.60

N027-0017 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with N027-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N027-0017?
Check Price and Availability of N027-0017, 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 N027-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N027-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N027-0017
  • 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 N027-0017 available by request