8012-7884 Screening compound: 1,3-diethyl 2-{[(7-methoxy-2,3-dimethyl-1H-indol-6-yl)amino]methylidene}propanedioate

8012-7884 Screening compound: 1,3-diethyl 2-{[(7-methoxy-2,3-dimethyl-1H-indol-6-yl)amino]methylidene}propanedioate
8012-7884 Screening compound: 1,3-diethyl 2-{[(7-methoxy-2,3-dimethyl-1H-indol-6-yl)amino]methylidene}propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7884
1,3-diethyl 2-{[(7-methoxy-2,3-dimethyl-1H-indol-6-yl)amino]methylidene}propanedioate

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

8012-7884

Molecular Formula

C19H24N2O5 (C19 H24 N2 O5)

Compound Name

1,3-diethyl 2-{[(7-methoxy-2,3-dimethyl-1H-indol-6-yl)amino]methylidene}propanedioate

IUPAC name

13-diethyl 2-{[(7-methoxy-23-dimethyl-1H-indol-6-yl)amino]methylidene}propanedioate

SMILES

CCOC(C(C(OCC)=O)=CNc(ccc1c2[nH]c(C)c1C)c2OC)=O

InChI

InChI=1S/C19H24N2O5/c1-6-25-18(22)14(19(23)26-7-2)10-20-15-9-8-13-11(3)12(4)21-16(13)17(15)24-5/h8-10,20-21H,6-7H2,1-5H3

InChI Key

SQXHYMNMOQHBFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.622

Distribution Coefficient, logD

2.866

Water Solubility, LogSw

-3.78

Polar Surface Area

71.062

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

8012-7884 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-7884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7884?
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What is the minimum amount of 8012-7884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7884
  • 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 8012-7884 available by request