K906-2868 Screening compound: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

K906-2868 Screening compound: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
K906-2868 Screening compound: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2868
3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

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

K906-2868

Molecular Formula

C24H22FN3O2S (C24 H22 FN3 O2 S)

Compound Name

3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

IUPAC name

3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-(6-methyl-13-benzothiazol-2-yl)propanamide

SMILES

CC(c1c(C)n(CCC(Nc2nc(ccc(C)c3)c3s2)=O)c(-c(cc2)ccc2F)c1)=O

InChI

InChI=1S/C24H22FN3O2S/c1-14-4-9-20-22(12-14)31-24(26-20)27-23(30)10-11-28-15(2)19(16(3)29)13-21(28)17-5-7-18(25)8-6-17/h4-9,12-13H,10-11H2,1-3H3,(H,26,27,30)

InChI Key

XJVREXJKCHEROR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.392

Distribution Coefficient, logD

5.392

Water Solubility, LogSw

-5.34

Polar Surface Area

47.634

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K906-2868 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K906-2868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2868?
Check Price and Availability of K906-2868, 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 K906-2868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2868
  • 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 K906-2868 available by request