8018-6552 Screening compound: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-2-benzopyran

8018-6552 Screening compound: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-2-benzopyran
8018-6552 Screening compound: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-2-benzopyran alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6552
6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-2-benzopyran

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

8018-6552

Molecular Formula

C17H17NO5 (C17 H17 NO5)

Compound Name

6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-2-benzopyran

IUPAC name

67-dimethoxy-1-(3-nitrophenyl)-34-dihydro-1H-2-benzopyran

SMILES

COc1cc(CCOC2c3cccc([N+]([O-])=O)c3)c2cc1OC

InChI

InChI=1S/C17H17NO5/c1-21-15-9-11-6-7-23-17(14(11)10-16(15)22-2)12-4-3-5-13(8-12)18(19)20/h3-5,8-10,17H,6-7H2,1-2H3/t17-/m0/s1

InChI Key

JZPAUVNVSYPVBB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08142200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.761

Distribution Coefficient, logD

2.761

Water Solubility, LogSw

-3.11

Polar Surface Area

56.999

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

8018-6552 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 8018-6552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6552?
Check Price and Availability of 8018-6552, 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 8018-6552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6552
  • 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 8018-6552 available by request