8016-4397 Screening compound: N~3~,N~3~,N~7~,N~7~-tetraethyl-2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxamide

8016-4397 Screening compound: N~3~,N~3~,N~7~,N~7~-tetraethyl-2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxamide
8016-4397 Screening compound: N~3~,N~3~,N~7~,N~7~-tetraethyl-2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4397
N~3~,N~3~,N~7~,N~7~-tetraethyl-2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxamide

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

8016-4397

Molecular Formula

C22H28N2O4 (C22 H28 N2 O4)

Compound Name

N~3~,N~3~,N~7~,N~7~-tetraethyl-2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxamide

IUPAC name

N6N6N12N12-tetraethyl-511-dimethyl-410-dioxatricyclo[7.3.0.0^{37}]dodeca-13(7)5811-pentaene-612-dicarboxamide

SMILES

CCN(CC)C(c(c1c2)c(C)oc1cc1c2oc(C)c1C(N(CC)CC)=O)=O

InChI

InChI=1S/C22H28N2O4/c1-7-23(8-2)21(25)19-13(5)27-17-12-16-18(11-15(17)19)28-14(6)20(16)22(26)24(9-3)10-4/h11-12H,7-10H2,1-6H3

InChI Key

DEDOYSDBXFNGEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-3.51

Polar Surface Area

47.997

Acid Dissociation Constant (pKa)

29.11

Base Dissociation Constant (pKb)

6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

8016-4397 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 8016-4397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4397?
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What is the minimum amount of 8016-4397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4397
  • 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 8016-4397 available by request