0073-0038 Screening compound: 4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]benzene-1,3-disulfonate

0073-0038 Screening compound: 4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]benzene-1,3-disulfonate
0073-0038 Screening compound: 4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]benzene-1,3-disulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0073-0038
4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]benzene-1,3-disulfonate

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

0073-0038

Molecular Formula

C27H29N2O7S2 (C27 H29 N2 O7 S2)

Compound Name

4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]benzene-1,3-disulfonate

IUPAC name

4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]benzene-13-disulfonate

SMILES

CCN(CC)c(cc1)cc(O2)c1C(c(ccc(S([O-])(=O)=O)c1)c1S([O-])(=O)=O)=C(C=C1)C2=CC1=[N+](CC)CC

InChI

InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p-1

InChI Key

IOOMXAQUNPWDLL-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD00607469

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

557.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.666

Distribution Coefficient, logD

0.666

Water Solubility, LogSw

-2.40

Polar Surface Area

97.610

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

0073-0038 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 0073-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0073-0038?
Check Price and Availability of 0073-0038, 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 0073-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0073-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0073-0038
  • 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 0073-0038 available by request