K906-2842 Screening compound: ethyl 1-({[3-(diethylamino)propyl]carbamoyl}methyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate

K906-2842 Screening compound: ethyl 1-({[3-(diethylamino)propyl]carbamoyl}methyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
K906-2842 Screening compound: ethyl 1-({[3-(diethylamino)propyl]carbamoyl}methyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2842
ethyl 1-({[3-(diethylamino)propyl]carbamoyl}methyl)-5-(4-fluorophenyl)-2-methyl-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

K906-2842

Molecular Formula

C23H32FN3O3 (C23 H32 FN3 O3)

Compound Name

ethyl 1-({[3-(diethylamino)propyl]carbamoyl}methyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 1-({[3-(diethylamino)propyl]carbamoyl}methyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate

SMILES

CCN(CC)CCCNC(Cn1c(-c(cc2)ccc2F)cc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C23H32FN3O3/c1-5-26(6-2)14-8-13-25-22(28)16-27-17(4)20(23(29)30-7-3)15-21(27)18-9-11-19(24)12-10-18/h9-12,15H,5-8,13-14,16H2,1-4H3,(H,25,28)

InChI Key

DLWXGWUTHHOABX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.859

Distribution Coefficient, logD

1.080

Water Solubility, LogSw

-3.81

Polar Surface Area

49.667

Acid Dissociation Constant (pKa)

15.39

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

K906-2842 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with K906-2842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2842?
Check Price and Availability of K906-2842, 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 K906-2842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2842
  • 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 K906-2842 available by request