Z601-0590 Screening compound: 1-benzyl-2,5-dimethyl-3-(pyrrolidine-1-carbonyl)-1H-pyrrole

Z601-0590 Screening compound: 1-benzyl-2,5-dimethyl-3-(pyrrolidine-1-carbonyl)-1H-pyrrole
Z601-0590 Screening compound: 1-benzyl-2,5-dimethyl-3-(pyrrolidine-1-carbonyl)-1H-pyrrole alternative view

Chemical Structure Depiction of ChemDiv screening compound Z601-0590
1-benzyl-2,5-dimethyl-3-(pyrrolidine-1-carbonyl)-1H-pyrrole

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

Z601-0590

Molecular Formula

C18H22N2O (C18 H22 N2 O)

Compound Name

1-benzyl-2,5-dimethyl-3-(pyrrolidine-1-carbonyl)-1H-pyrrole

IUPAC name

1-benzyl-25-dimethyl-3-(pyrrolidine-1-carbonyl)-1H-pyrrole

SMILES

Cc1cc(C(N2CCCC2)=O)c(C)n1Cc1ccccc1

InChI

InChI=1S/C18H22N2O/c1-14-12-17(18(21)19-10-6-7-11-19)15(2)20(14)13-16-8-4-3-5-9-16/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3

InChI Key

SJJLBEGCMPGYMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27639075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.038

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.26

Polar Surface Area

19.174

Acid Dissociation Constant (pKa)

27.25

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

Z601-0590 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Z601-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z601-0590?
Check Price and Availability of Z601-0590, 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 Z601-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z601-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z601-0590
  • 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 Z601-0590 available by request