2331-0539 Screening compound: 6-methoxy-3',3'-dimethyl-1'-phenyl-1',3'-dihydrospiro[chromene-2,2'-indole]

2331-0539 Screening compound: 6-methoxy-3',3'-dimethyl-1'-phenyl-1',3'-dihydrospiro[chromene-2,2'-indole]
2331-0539 Screening compound: 6-methoxy-3',3'-dimethyl-1'-phenyl-1',3'-dihydrospiro[chromene-2,2'-indole] alternative view

Chemical Structure Depiction of ChemDiv screening compound 2331-0539
6-methoxy-3',3'-dimethyl-1'-phenyl-1',3'-dihydrospiro[chromene-2,2'-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

2331-0539

Molecular Formula

C25H23NO2 (C25 H23 NO2)

Compound Name

6-methoxy-3',3'-dimethyl-1'-phenyl-1',3'-dihydrospiro[chromene-2,2'-indole]

IUPAC name

6-methoxy-3'3'-dimethyl-1'-phenyl-1'3'-dihydrospiro[chromene-22'-indole]

SMILES

CC(C)(C1(C=C2)Oc(cc3)c2cc3OC)c(cccc2)c2N1c1ccccc1

InChI

InChI=1S/C25H23NO2/c1-24(2)21-11-7-8-12-22(21)26(19-9-5-4-6-10-19)25(24)16-15-18-17-20(27-3)13-14-23(18)28-25/h4-17H,1-3H3/t25-/m1/s1

InChI Key

GNRRXQNSPVTOPU-RUZDIDTESA-N

MDL Number (MFCD)

MFCD00357751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.810

Distribution Coefficient, logD

5.810

Water Solubility, LogSw

-5.69

Polar Surface Area

15.327

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

2331-0539 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2331-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2331-0539?
Check Price and Availability of 2331-0539, 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 2331-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2331-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2331-0539
  • 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 2331-0539 available by request