8012-5077 Screening compound: N-[(2-chlorophenyl)methyl]-2-{3',3'-dimethyl-1',3'-dihydrospiro[benzo[f]chromene-3,2'-indol]-1'-yl}acetamide

8012-5077 Screening compound: N-[(2-chlorophenyl)methyl]-2-{3',3'-dimethyl-1',3'-dihydrospiro[benzo[f]chromene-3,2'-indol]-1'-yl}acetamide
8012-5077 Screening compound: N-[(2-chlorophenyl)methyl]-2-{3',3'-dimethyl-1',3'-dihydrospiro[benzo[f]chromene-3,2'-indol]-1'-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5077
N-[(2-chlorophenyl)methyl]-2-{3',3'-dimethyl-1',3'-dihydrospiro[benzo[f]chromene-3,2'-indol]-1'-yl}acetamide

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

8012-5077

Molecular Formula

C31H27ClN2O2 (C31 H27 ClN2 O2)

Compound Name

N-[(2-chlorophenyl)methyl]-2-{3',3'-dimethyl-1',3'-dihydrospiro[benzo[f]chromene-3,2'-indol]-1'-yl}acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-{3'3'-dimethyl-1'3'-dihydrospiro[benzo[f]chromene-32'-indol]-1'-yl}acetamide

SMILES

CC1(C)c(cccc2)c2N(CC(NCc(cccc2)c2Cl)=O)C1(C=C1)Oc2c1c1ccccc1cc2

InChI

InChI=1S/C31H27ClN2O2/c1-30(2)25-12-6-8-14-27(25)34(20-29(35)33-19-22-10-4-7-13-26(22)32)31(30)18-17-24-23-11-5-3-9-21(23)15-16-28(24)36-31/h3-18H,19-20H2,1-2H3,(H,33,35)/t31-/m1/s1

InChI Key

IIZGJGVBDVXDNV-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD02942067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.02

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.225

Distribution Coefficient, logD

7.225

Water Solubility, LogSw

-6.41

Polar Surface Area

32.595

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

8012-5077 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-5077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5077?
Check Price and Availability of 8012-5077, 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 8012-5077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5077
  • 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 8012-5077 available by request