K906-2578 Screening compound: 2-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

K906-2578 Screening compound: 2-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
K906-2578 Screening compound: 2-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2578
2-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-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

K906-2578

Molecular Formula

C23H21N3O2S (C23 H21 N3 O2 S)

Compound Name

2-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(4-methyl-13-benzothiazol-2-yl)acetamide

SMILES

CC(c1c(C)n(CC(Nc2nc(c(C)ccc3)c3s2)=O)c(-c2ccccc2)c1)=O

InChI

InChI=1S/C23H21N3O2S/c1-14-8-7-11-20-22(14)25-23(29-20)24-21(28)13-26-15(2)18(16(3)27)12-19(26)17-9-5-4-6-10-17/h4-12H,13H2,1-3H3,(H,24,25,28)

InChI Key

ZFODHXWEIFDZMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.308

Distribution Coefficient, logD

5.308

Water Solubility, LogSw

-5.35

Polar Surface Area

48.426

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

K906-2578 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with K906-2578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2578?
Check Price and Availability of K906-2578, 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 K906-2578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2578
  • 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 K906-2578 available by request