8012-5101 Screening compound: 2-(3,4-diethoxyphenyl)-3-nitro-2H-chromen-8-yl methyl ether

8012-5101 Screening compound: 2-(3,4-diethoxyphenyl)-3-nitro-2H-chromen-8-yl methyl ether
8012-5101 Screening compound: 2-(3,4-diethoxyphenyl)-3-nitro-2H-chromen-8-yl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5101
2-(3,4-diethoxyphenyl)-3-nitro-2H-chromen-8-yl methyl ether

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

8012-5101

Molecular Formula

C20H21NO6 (C20 H21 NO6)

Compound Name

2-(3,4-diethoxyphenyl)-3-nitro-2H-chromen-8-yl methyl ether

IUPAC name

2-(34-diethoxyphenyl)-8-methoxy-3-nitro-2H-chromene

SMILES

CCOc(ccc(C1Oc(c(OC)ccc2)c2C=C1[N+]([O-])=O)c1)c1OCC

InChI

InChI=1S/C20H21NO6/c1-4-25-16-10-9-14(12-18(16)26-5-2)19-15(21(22)23)11-13-7-6-8-17(24-3)20(13)27-19/h6-12,19H,4-5H2,1-3H3/t19-/m0/s1

InChI Key

BCJAUPOXJFTTNG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03017958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.876

Distribution Coefficient, logD

3.876

Water Solubility, LogSw

-4.06

Polar Surface Area

62.414

Acid Dissociation Constant (pKa)

20.54

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8012-5101 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-5101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5101?
Check Price and Availability of 8012-5101, 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 8012-5101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5101
  • 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 8012-5101 available by request