2730-0750 Screening compound: N'-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-N,N-diethyliminoformamide

2730-0750 Screening compound: N'-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-N,N-diethyliminoformamide
2730-0750 Screening compound: N'-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-N,N-diethyliminoformamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2730-0750
N'-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-N,N-diethyliminoformamide

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

2730-0750

Molecular Formula

C17H26N4S (C17 H26 N4 S)

Compound Name

N'-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-N,N-diethyliminoformamide

IUPAC name

(E)-N'-{3-cyano-5577-tetramethyl-4H5H6H7H-thieno[23-c]pyridin-2-yl}-NN-diethylmethanimidamide

SMILES

CCN(CC)/C=N/c(sc1c2CC(C)(C)NC1(C)C)c2C#N

InChI

InChI=1S/C17H26N4S/c1-7-21(8-2)11-19-15-13(10-18)12-9-16(3,4)20-17(5,6)14(12)22-15/h11,20H,7-9H2,1-6H3

InChI Key

JLLIHDKQVAQYLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01909215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.49

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

3.053

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.17

Polar Surface Area

39.080

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.71

2730-0750 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2730-0750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2730-0750?
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What is the minimum amount of 2730-0750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2730-0750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2730-0750
  • 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 2730-0750 available by request