F602-1893 Screening compound: isopropyl 5-({3-[(cyclopentylamino)carbonyl]piperidino}carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

F602-1893 Screening compound: isopropyl 5-({3-[(cyclopentylamino)carbonyl]piperidino}carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
F602-1893 Screening compound: isopropyl 5-({3-[(cyclopentylamino)carbonyl]piperidino}carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F602-1893
isopropyl 5-({3-[(cyclopentylamino)carbonyl]piperidino}carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

F602-1893

Molecular Formula

C22H33N3O4 (C22 H33 N3 O4)

Compound Name

isopropyl 5-({3-[(cyclopentylamino)carbonyl]piperidino}carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

propan-2-yl 5-[3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CC(C)OC(c1c(C)[nH]c(C(N(CCC2)CC2C(NC2CCCC2)=O)=O)c1C)=O

InChI

InChI=1S/C22H33N3O4/c1-13(2)29-22(28)18-14(3)19(23-15(18)4)21(27)25-11-7-8-16(12-25)20(26)24-17-9-5-6-10-17/h13,16-17,23H,5-12H2,1-4H3,(H,24,26)/t16-/m0/s1

InChI Key

NSELRRCZSSUWFB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27178933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

2.826

Water Solubility, LogSw

-2.97

Polar Surface Area

72.739

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

F602-1893 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F602-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F602-1893?
Check Price and Availability of F602-1893, 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 F602-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F602-1893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F602-1893
  • 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 F602-1893 available by request