0387-0010 Screening compound: 3'-methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene]

0387-0010 Screening compound: 3'-methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene]
0387-0010 Screening compound: 3'-methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene] alternative view

Chemical Structure Depiction of ChemDiv screening compound 0387-0010
3'-methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene]

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

0387-0010

Molecular Formula

C22H15NO4 (C22 H15 NO4)

Compound Name

3'-methyl-6'-nitrospiro[benzo[f]chromene-3,2'-chromene]

IUPAC name

3'-methyl-6'-nitrospiro[benzo[f]chromene-32'-chromene]

SMILES

CC1=Cc(cc(cc2)[N+]([O-])=O)c2OC1(C=C1)Oc2c1c1ccccc1cc2

InChI

InChI=1S/C22H15NO4/c1-14-12-16-13-17(23(24)25)7-9-20(16)26-22(14)11-10-19-18-5-3-2-4-15(18)6-8-21(19)27-22/h2-13H,1H3/t22-/m0/s1

InChI Key

ORVZQQYJOQPSNU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00980060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.568

Distribution Coefficient, logD

5.568

Water Solubility, LogSw

-6.77

Polar Surface Area

46.726

Acid Dissociation Constant (pKa)

32.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

0387-0010 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0387-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0387-0010?
Check Price and Availability of 0387-0010, 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 0387-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0387-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0387-0010
  • 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 0387-0010 available by request