1923-0080 Screening compound: 3',3'-dimethyl-8-nitro-1'-phenyl-1',3'-dihydrospiro[benzo[f]chromene-3,2'-indole]

1923-0080 Screening compound: 3',3'-dimethyl-8-nitro-1'-phenyl-1',3'-dihydrospiro[benzo[f]chromene-3,2'-indole]
1923-0080 Screening compound: 3',3'-dimethyl-8-nitro-1'-phenyl-1',3'-dihydrospiro[benzo[f]chromene-3,2'-indole] alternative view

Chemical Structure Depiction of ChemDiv screening compound 1923-0080
3',3'-dimethyl-8-nitro-1'-phenyl-1',3'-dihydrospiro[benzo[f]chromene-3,2'-indole]

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

1923-0080

Molecular Formula

C28H22N2O3 (C28 H22 N2 O3)

Compound Name

3',3'-dimethyl-8-nitro-1'-phenyl-1',3'-dihydrospiro[benzo[f]chromene-3,2'-indole]

IUPAC name

3'3'-dimethyl-8-nitro-1'-phenyl-1'3'-dihydrospiro[benzo[f]chromene-32'-indole]

SMILES

CC(C)(C12Oc3ccc(cc(cc4)[N+]([O-])=O)c4c3C=C2)c(cccc2)c2N1c1ccccc1

InChI

InChI=1S/C28H22N2O3/c1-27(2)24-10-6-7-11-25(24)29(20-8-4-3-5-9-20)28(27)17-16-23-22-14-13-21(30(31)32)18-19(22)12-15-26(23)33-28/h3-18H,1-2H3/t28-/m1/s1

InChI Key

QSFCLZNANKJILV-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD01107214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.972

Distribution Coefficient, logD

6.972

Water Solubility, LogSw

-6.35

Polar Surface Area

40.894

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

1923-0080 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1923-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1923-0080?
Check Price and Availability of 1923-0080, 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 1923-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1923-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1923-0080
  • 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 1923-0080 available by request