7165-0583 Screening compound: 2-{[(2Z)-5,6-dimethyl-3-(3-sulfonatopropyl)-2H,3H-thieno[2,3-d][1,3]thiazol-2-ylidene]methyl}-3-ethyl-1,3-benzothiazol-3-ium

7165-0583 Screening compound: 2-{[(2Z)-5,6-dimethyl-3-(3-sulfonatopropyl)-2H,3H-thieno[2,3-d][1,3]thiazol-2-ylidene]methyl}-3-ethyl-1,3-benzothiazol-3-ium
7165-0583 Screening compound: 2-{[(2Z)-5,6-dimethyl-3-(3-sulfonatopropyl)-2H,3H-thieno[2,3-d][1,3]thiazol-2-ylidene]methyl}-3-ethyl-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7165-0583
2-{[(2Z)-5,6-dimethyl-3-(3-sulfonatopropyl)-2H,3H-thieno[2,3-d][1,3]thiazol-2-ylidene]methyl}-3-ethyl-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

7165-0583

Molecular Formula

C20H22N2O3S4 (C20 H22 N2 O3 S4)

Compound Name

2-{[(2Z)-5,6-dimethyl-3-(3-sulfonatopropyl)-2H,3H-thieno[2,3-d][1,3]thiazol-2-ylidene]methyl}-3-ethyl-1,3-benzothiazol-3-ium

IUPAC name

2-{[(2Z)-56-dimethyl-3-(3-sulfonatopropyl)-2H3H-thieno[23-d][13]thiazol-2-ylidene]methyl}-3-ethyl-13-benzothiazol-3-ium

SMILES

CC[n+]1c(/C=C(/N2CCCS([O-])(=O)=O)\Sc3c2sc(C)c3C)sc2c1cccc2

InChI

InChI=1S/C20H22N2O3S4/c1-4-21-15-8-5-6-9-16(15)27-17(21)12-18-22(10-7-11-29(23,24)25)20-19(28-18)13(2)14(3)26-20/h5-6,8-9,12H,4,7,10-11H2,1-3H3

InChI Key

QIPNAIYLONUWSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.03

Polar Surface Area

45.907

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

7165-0583 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7165-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 7165-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7165-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7165-0583
  • 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 7165-0583 available by request