2324-0257 Screening compound: 2-[(1E)-2-{[(2Z)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-5-methoxy-3-(3-sulfonatononyl)-1,3-benzothiazol-3-ium

2324-0257 Screening compound: 2-[(1E)-2-{[(2Z)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-5-methoxy-3-(3-sulfonatononyl)-1,3-benzothiazol-3-ium
2324-0257 Screening compound: 2-[(1E)-2-{[(2Z)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-5-methoxy-3-(3-sulfonatononyl)-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2324-0257
2-[(1E)-2-{[(2Z)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-5-methoxy-3-(3-sulfonatononyl)-1,3-benzothiazol-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

2324-0257

Molecular Formula

C32H42N2O5S3 (C32 H42 N2 O5 S3)

Compound Name

2-[(1E)-2-{[(2Z)-3-ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-5-methoxy-3-(3-sulfonatononyl)-1,3-benzothiazol-3-ium

IUPAC name

2-[(1E)-2-{[(2Z)-3-ethyl-5-methoxy-23-dihydro-13-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-5-methoxy-3-(3-sulfonatononyl)-13-benzothiazol-3-ium

SMILES

CCCCCCC(CC[n+]1c(/C=C(\CC)/C=C2\Sc(ccc(OC)c3)c3N2CC)sc(cc2)c1cc2OC)S([O-])(=O)=O

InChI

InChI=1S/C32H42N2O5S3/c1-6-9-10-11-12-26(42(35,36)37)17-18-34-28-22-25(39-5)14-16-30(28)41-32(34)20-23(7-2)19-31-33(8-3)27-21-24(38-4)13-15-29(27)40-31/h13-16,19-22,26H,6-12,17-18H2,1-5H3/t26-/m0/s1

InChI Key

BNOWNSKQWMPFPV-SANMLTNESA-N

MDL Number (MFCD)

MFCD01841191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

630.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.466

Distribution Coefficient, logD

8.466

Water Solubility, LogSw

-5.80

Polar Surface Area

59.897

Acid Dissociation Constant (pKa)

18.87

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.90

2324-0257 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2324-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2324-0257?
Check Price and Availability of 2324-0257, 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 2324-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2324-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2324-0257
  • 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 2324-0257 available by request