1926-2279 Screening compound: (2Z)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-2H-chromene-3-carboxamide

1926-2279 Screening compound: (2Z)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-2H-chromene-3-carboxamide
1926-2279 Screening compound: (2Z)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1926-2279
(2Z)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-2H-chromene-3-carboxamide

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

1926-2279

Molecular Formula

C20H17N3O3S (C20 H17 N3 O3 S)

Compound Name

(2Z)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-2H-chromene-3-carboxamide

IUPAC name

(2Z)-2-[(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)imino]-8-methoxy-2H-chromene-3-carboxamide

SMILES

COc(cccc1C=C2C(N)=O)c1O/C2=N\c(sc1c2CCCC1)c2C#N

InChI

InChI=1S/C20H17N3O3S/c1-25-15-7-4-5-11-9-13(18(22)24)19(26-17(11)15)23-20-14(10-21)12-6-2-3-8-16(12)27-20/h4-5,7,9H,2-3,6,8H2,1H3,(H2,22,24)

InChI Key

UCFFVKFNMKADOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.951

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.54

Polar Surface Area

74.090

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1926-2279 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1926-2279 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1926-2279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1926-2279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1926-2279
  • 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 1926-2279 available by request