6844-3289 Screening compound: 3-methyl-N~1~-{6-[(3-methylbenzoyl)amino][1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl}benzamide

6844-3289 Screening compound: 3-methyl-N~1~-{6-[(3-methylbenzoyl)amino][1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl}benzamide
6844-3289 Screening compound: 3-methyl-N~1~-{6-[(3-methylbenzoyl)amino][1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6844-3289
3-methyl-N~1~-{6-[(3-methylbenzoyl)amino][1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl}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

6844-3289

Molecular Formula

C24H18N4O2S2 (C24 H18 N4 O2 S2)

Compound Name

3-methyl-N~1~-{6-[(3-methylbenzoyl)amino][1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl}benzamide

IUPAC name

3-methyl-N-[11-(3-methylbenzamido)-410-dithia-612-diazatricyclo[7.3.0.0^{37}]dodeca-1(9)25711-pentaen-5-yl]benzamide

SMILES

Cc1cccc(C(Nc(sc2c3)nc2cc2c3nc(NC(c3cc(C)ccc3)=O)s2)=O)c1

InChI

InChI=1S/C24H18N4O2S2/c1-13-5-3-7-15(9-13)21(29)27-23-25-17-11-20-18(12-19(17)31-23)26-24(32-20)28-22(30)16-8-4-6-14(2)10-16/h3-12H,1-2H3,(H,25,27,29)(H,26,28,30)

InChI Key

VXYBTVIPBZEDOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07161747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.401

Distribution Coefficient, logD

6.394

Water Solubility, LogSw

-5.68

Polar Surface Area

65.944

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

6844-3289 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with 6844-3289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6844-3289?
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What is the minimum amount of 6844-3289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6844-3289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6844-3289
  • 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 6844-3289 available by request