7771-0716 Screening compound: 2-[(1E)-3-[(2E)-6-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3,3-trimethyl-3H-indol-1-ium

7771-0716 Screening compound: 2-[(1E)-3-[(2E)-6-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3,3-trimethyl-3H-indol-1-ium
7771-0716 Screening compound: 2-[(1E)-3-[(2E)-6-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3,3-trimethyl-3H-indol-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7771-0716
2-[(1E)-3-[(2E)-6-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3,3-trimethyl-3H-indol-1-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

7771-0716

Molecular Formula

C25H27N2OS (C25 H27 N2 OS)

Compound Name

2-[(1E)-3-[(2E)-6-methoxy-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]prop-1-en-1-yl]-1,3,3-trimethyl-3H-indol-1-ium

IUPAC name

2-[(1E)-3-[(2E)-6-methoxy-3-(prop-2-en-1-yl)-23-dihydro-13-benzothiazol-2-ylidene]prop-1-en-1-yl]-133-trimethyl-3H-indol-1-ium

SMILES

CC1(C)c(cccc2)c2[N+](C)=C1/C=C/C=C1/Sc(cc(cc2)OC)c2N1CC=C

InChI

InChI=1S/C25H27N2OS/c1-6-16-27-21-15-14-18(28-5)17-22(21)29-24(27)13-9-12-23-25(2,3)19-10-7-8-11-20(19)26(23)4/h6-15,17H,1,16H2,2-5H3/q+1

InChI Key

KIBCRJRWWJNGBQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

403.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.392

Distribution Coefficient, logD

6.392

Water Solubility, LogSw

-5.78

Polar Surface Area

11.088

Acid Dissociation Constant (pKa)

29.66

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 7771-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7771-0716?
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What is the minimum amount of 7771-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7771-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7771-0716
  • 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 7771-0716 available by request