3448-4552 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide

3448-4552 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide
3448-4552 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-4552
N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide

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

3448-4552

Molecular Formula

C29H26N4O5S2 (C29 H26 N4 O5 S2)

Compound Name

N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide

IUPAC name

N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide

SMILES

CC(c(cc1)ccc1NC(CSc1nc(ccc(NC(c(cccc2)c2C(N2CCOCC2)=O)=O)c2)c2s1)=O)=O

InChI

InChI=1S/C29H26N4O5S2/c1-18(34)19-6-8-20(9-7-19)30-26(35)17-39-29-32-24-11-10-21(16-25(24)40-29)31-27(36)22-4-2-3-5-23(22)28(37)33-12-14-38-15-13-33/h2-11,16H,12-15,17H2,1H3,(H,30,35)(H,31,36)

InChI Key

HIEZJCKWAMMARJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02019356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.453

Distribution Coefficient, logD

3.453

Water Solubility, LogSw

-3.77

Polar Surface Area

93.672

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

3448-4552 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 3448-4552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-4552?
Check Price and Availability of 3448-4552, 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 3448-4552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-4552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-4552
  • 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 3448-4552 available by request