K906-3331 Screening compound: 3-[3-acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(pyridin-3-yl)methyl]propanamide

K906-3331 Screening compound: 3-[3-acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(pyridin-3-yl)methyl]propanamide
K906-3331 Screening compound: 3-[3-acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-3331
3-[3-acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(pyridin-3-yl)methyl]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

K906-3331

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

3-[3-acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(pyridin-3-yl)methyl]propanamide

IUPAC name

3-[3-acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(pyridin-3-yl)methyl]propanamide

SMILES

CC(c1c(C)n(CCC(NCc2cnccc2)=O)c(-c(cc2)ccc2OC)c1)=O

InChI

InChI=1S/C23H25N3O3/c1-16-21(17(2)27)13-22(19-6-8-20(29-3)9-7-19)26(16)12-10-23(28)25-15-18-5-4-11-24-14-18/h4-9,11,13-14H,10,12,15H2,1-3H3,(H,25,28)

InChI Key

HTYPTINEHUQOCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-2.84

Polar Surface Area

56.256

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

K906-3331 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K906-3331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-3331?
Check Price and Availability of K906-3331, 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 K906-3331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-3331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-3331
  • 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 K906-3331 available by request