K906-2766 Screening compound: ethyl 1-{2-[(2,3-dimethylcyclohexyl)carbamoyl]ethyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate

K906-2766 Screening compound: ethyl 1-{2-[(2,3-dimethylcyclohexyl)carbamoyl]ethyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
K906-2766 Screening compound: ethyl 1-{2-[(2,3-dimethylcyclohexyl)carbamoyl]ethyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2766
ethyl 1-{2-[(2,3-dimethylcyclohexyl)carbamoyl]ethyl}-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

K906-2766

Molecular Formula

C25H33FN2O3 (C25 H33 FN2 O3)

Compound Name

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

IUPAC name

ethyl 1-{2-[(23-dimethylcyclohexyl)carbamoyl]ethyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CCC(NC2C(C)C(C)CCC2)=O)c(-c(cc2)ccc2F)c1)=O

InChI

InChI=1S/C25H33FN2O3/c1-5-31-25(30)21-15-23(19-9-11-20(26)12-10-19)28(18(21)4)14-13-24(29)27-22-8-6-7-16(2)17(22)3/h9-12,15-17,22H,5-8,13-14H2,1-4H3,(H,27,29)

InChI Key

GYHADYZNGBHRSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.193

Water Solubility, LogSw

-5.02

Polar Surface Area

46.237

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.00

K906-2766 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K906-2766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2766?
Check Price and Availability of K906-2766, 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 K906-2766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2766
  • 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 K906-2766 available by request