7165-0130 Screening compound: 2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium

7165-0130 Screening compound: 2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium
7165-0130 Screening compound: 2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7165-0130
2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(methoxycarbonyl)-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

7165-0130

Molecular Formula

C23H27N2O2 (C23 H27 N2 O2)

Compound Name

2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium

IUPAC name

2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(methoxycarbonyl)-133-trimethyl-3H-indol-1-ium

SMILES

CC1(C)c(cc(cc2)C(OC)=O)c2[N+](C)=C1/C=C/c(cc1)ccc1N(C)C

InChI

InChI=1S/C23H27N2O2/c1-23(2)19-15-17(22(26)27-6)10-13-20(19)25(5)21(23)14-9-16-7-11-18(12-8-16)24(3)4/h7-15H,1-6H3/q+1

InChI Key

PGWXEJMXLCZOBX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.473

Distribution Coefficient, logD

5.473

Water Solubility, LogSw

-5.49

Polar Surface Area

25.860

Acid Dissociation Constant (pKa)

29.66

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 7165-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7165-0130?
Check Price and Availability of 7165-0130, 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 7165-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7165-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7165-0130
  • 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 7165-0130 available by request