1487-1734 Screening compound: 4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-{[(PHENYLCARBAMOYL)AMINO]AMINO}-3-(PROP-2-EN-1-YL)-1,3-THIAZOL-3-IUM

1487-1734 Screening compound: 4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-{[(PHENYLCARBAMOYL)AMINO]AMINO}-3-(PROP-2-EN-1-YL)-1,3-THIAZOL-3-IUM
1487-1734 Screening compound: 4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-{[(PHENYLCARBAMOYL)AMINO]AMINO}-3-(PROP-2-EN-1-YL)-1,3-THIAZOL-3-IUM alternative view

Chemical Structure Depiction of ChemDiv screening compound 1487-1734
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-{[(PHENYLCARBAMOYL)AMINO]AMINO}-3-(PROP-2-EN-1-YL)-1,3-THIAZOL-3-IUM

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

1487-1734

Molecular Formula

C21H21N4O3S (C21 H21 N4 O3 S)

Compound Name

4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-{[(PHENYLCARBAMOYL)AMINO]AMINO}-3-(PROP-2-EN-1-YL)-1,3-THIAZOL-3-IUM

IUPAC name

n/a

SMILES

C=CC[n+]1c(NNC(Nc2ccccc2)=O)scc1-c(cc1)cc2c1OCCO2

InChI

InChI=1S/C21H20N4O3S/c1-2-10-25-17(15-8-9-18-19(13-15)28-12-11-27-18)14-29-21(25)24-23-20(26)22-16-6-4-3-5-7-16/h2-9,13-14H,1,10-12H2,(H2,22,23,26)/p+1

InChI Key

QJEYSWUEBFCBOT-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD02641400

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.80

Polar Surface Area

63.123

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1487-1734 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1487-1734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1487-1734?
Check Price and Availability of 1487-1734, 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 1487-1734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1487-1734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1487-1734
  • 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 1487-1734 available by request