7287-0749 Screening compound: 3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-methylnaphtho[1,2-b]furan-5-yl acetate

7287-0749 Screening compound: 3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-methylnaphtho[1,2-b]furan-5-yl acetate
7287-0749 Screening compound: 3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-methylnaphtho[1,2-b]furan-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0749
3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-methylnaphtho[1,2-b]furan-5-yl acetate

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

7287-0749

Molecular Formula

C26H25NO6 (C26 H25 NO6)

Compound Name

3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-2-methylnaphtho[1,2-b]furan-5-yl acetate

IUPAC name

3-{[2-(34-dimethoxyphenyl)ethyl]carbamoyl}-2-methylnaphtho[12-b]furan-5-yl acetate

SMILES

CC(Oc(c1ccccc11)cc2c1oc(C)c2C(NCCc(cc1)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C26H25NO6/c1-15-24(26(29)27-12-11-17-9-10-21(30-3)23(13-17)31-4)20-14-22(33-16(2)28)18-7-5-6-8-19(18)25(20)32-15/h5-10,13-14H,11-12H2,1-4H3,(H,27,29)

InChI Key

YTXNXSFQTXICQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05843525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-4.04

Polar Surface Area

68.501

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

7287-0749 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 7287-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0749?
Check Price and Availability of 7287-0749, 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 7287-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0749
  • 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 7287-0749 available by request