N005-0001 Screening compound: 4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one

N005-0001 Screening compound: 4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one
N005-0001 Screening compound: 4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N005-0001
4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-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

N005-0001

Molecular Formula

C16H16O6 (C16 H16 O6)

Compound Name

4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one

IUPAC name

4-(23-dihydroxy-3-methylbutoxy)-7H-furo[32-g]chromen-7-one

SMILES

CC(C)(C(COc1c(cco2)c2cc(O2)c1C=CC2=O)O)O

InChI

InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m0/s1

InChI Key

PEWFWDOPJISUOK-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.347

Distribution Coefficient, logD

1.347

Water Solubility, LogSw

-1.98

Polar Surface Area

68.390

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

N005-0001 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N005-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N005-0001?
Check Price and Availability of N005-0001, 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 N005-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N005-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N005-0001
  • 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 N005-0001 available by request