2729-0898 Screening compound: 2-amino-4-(2-methoxyphenyl)-4H-[1]benzothieno[3,2-b]pyran-3-carbonitrile

2729-0898 Screening compound: 2-amino-4-(2-methoxyphenyl)-4H-[1]benzothieno[3,2-b]pyran-3-carbonitrile
2729-0898 Screening compound: 2-amino-4-(2-methoxyphenyl)-4H-[1]benzothieno[3,2-b]pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0898
2-amino-4-(2-methoxyphenyl)-4H-[1]benzothieno[3,2-b]pyran-3-carbonitrile

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

2729-0898

Molecular Formula

C19H14N2O2S (C19 H14 N2 O2 S)

Compound Name

2-amino-4-(2-methoxyphenyl)-4H-[1]benzothieno[3,2-b]pyran-3-carbonitrile

IUPAC name

4-amino-6-(2-methoxyphenyl)-3-oxa-8-thiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)41012-pentaene-5-carbonitrile

SMILES

COc1c(C2C(C#N)=C(N)Oc3c2sc2c3cccc2)cccc1

InChI

InChI=1S/C19H14N2O2S/c1-22-14-8-4-2-6-11(14)16-13(10-20)19(21)23-17-12-7-3-5-9-15(12)24-18(16)17/h2-9,16H,21H2,1H3/t16-/m0/s1

InChI Key

AWUNGDZECIWCDF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01955901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.46

Polar Surface Area

54.355

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

2729-0898 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2729-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0898?
Check Price and Availability of 2729-0898, 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 2729-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0898
  • 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 2729-0898 available by request