7527-0445 Screening compound: 2-{[(2Z)-3-(2-hydroxyethyl)-5-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]methyl}-1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium

7527-0445 Screening compound: 2-{[(2Z)-3-(2-hydroxyethyl)-5-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]methyl}-1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium
7527-0445 Screening compound: 2-{[(2Z)-3-(2-hydroxyethyl)-5-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]methyl}-1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7527-0445
2-{[(2Z)-3-(2-hydroxyethyl)-5-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]methyl}-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

7527-0445

Molecular Formula

C21H22N2O4S3 (C21 H22 N2 O4 S3)

Compound Name

2-{[(2Z)-3-(2-hydroxyethyl)-5-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]methyl}-1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium

IUPAC name

2-{[(2Z)-3-(2-hydroxyethyl)-5-methyl-23-dihydro-13-thiazol-2-ylidene]methyl}-1-(3-sulfonatopropyl)naphtho[12-d][13]thiazol-1-ium

SMILES

CC(S1)=CN(CCO)/C1=C/c1[n+](CCCS([O-])(=O)=O)c(c2ccccc2cc2)c2s1

InChI

InChI=1S/C21H22N2O4S3/c1-15-14-22(10-11-24)19(28-15)13-20-23(9-4-12-30(25,26)27)21-17-6-3-2-5-16(17)7-8-18(21)29-20/h2-3,5-8,13-14,24H,4,9-12H2,1H3

InChI Key

JXHWHFCRPLYZAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.378

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-2.83

Polar Surface Area

63.000

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-10.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

7527-0445 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7527-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7527-0445?
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What is the minimum amount of 7527-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7527-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7527-0445
  • 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 7527-0445 available by request