5033-2451 Screening compound: N-(2-{[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

5033-2451 Screening compound: N-(2-{[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
5033-2451 Screening compound: N-(2-{[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5033-2451
N-(2-{[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

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

5033-2451

Molecular Formula

C23H21N3O2S2 (C23 H21 N3 O2 S2)

Compound Name

N-(2-{[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

IUPAC name

N-(2-{[2-oxo-2-(2349-tetrahydro-1H-carbazol-9-yl)ethyl]sulfanyl}-13-benzothiazol-6-yl)acetamide

SMILES

CC(Nc(cc1)cc2c1nc(SCC(n1c(cccc3)c3c3c1CCCC3)=O)s2)=O

InChI

InChI=1S/C23H21N3O2S2/c1-14(27)24-15-10-11-18-21(12-15)30-23(25-18)29-13-22(28)26-19-8-4-2-6-16(19)17-7-3-5-9-20(17)26/h2,4,6,8,10-12H,3,5,7,9,13H2,1H3,(H,24,27)

InChI Key

IVCBZSULAQQMAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03355785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.738

Distribution Coefficient, logD

4.738

Water Solubility, LogSw

-4.74

Polar Surface Area

47.099

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

5033-2451 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5033-2451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5033-2451?
Check Price and Availability of 5033-2451, 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 5033-2451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5033-2451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5033-2451
  • 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 5033-2451 available by request