2324-0172 Screening compound: 2-[(1E)-2-{[(2Z)-5-methoxy-3-(3-sulfopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium

2324-0172 Screening compound: 2-[(1E)-2-{[(2Z)-5-methoxy-3-(3-sulfopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium
2324-0172 Screening compound: 2-[(1E)-2-{[(2Z)-5-methoxy-3-(3-sulfopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2324-0172
2-[(1E)-2-{[(2Z)-5-methoxy-3-(3-sulfopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-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

2324-0172

Molecular Formula

C30H32N2O7S4 (C30 H32 N2 O7 S4)

Compound Name

2-[(1E)-2-{[(2Z)-5-methoxy-3-(3-sulfopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium

IUPAC name

2-[(1E)-2-{[(2Z)-5-methoxy-3-(3-sulfopropyl)-23-dihydro-13-benzothiazol-2-ylidene]methyl}but-1-en-1-yl]-1-(3-sulfonatopropyl)naphtho[12-d][13]thiazol-1-ium

SMILES

CC/C(/C=C1\Sc(ccc(OC)c2)c2N1CCCS(O)(=O)=O)=C\c1[n+](CCCS([O-])(=O)=O)c(c2ccccc2cc2)c2s1

InChI

InChI=1S/C30H32N2O7S4/c1-3-21(18-28-31(14-6-16-42(33,34)35)25-20-23(39-2)11-13-26(25)40-28)19-29-32(15-7-17-43(36,37)38)30-24-9-5-4-8-22(24)10-12-27(30)41-29/h4-5,8-13,18-20H,3,6-7,14-17H2,1-2H3,(H-,33,34,35,36,37,38)

InChI Key

BTBUHSGLHXIGRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00643240

Chemical and Physical Properties

Saltdata

(C2H5)3N

Molecular Weight

660.86

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.719

Distribution Coefficient, logD

-5.708

Water Solubility, LogSw

-4.18

Polar Surface Area

95.817

Acid Dissociation Constant (pKa)

-2.03

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

2324-0172 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2324-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2324-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2324-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2324-0172
  • 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 2324-0172 available by request