K906-1740 Screening compound: ethyl 1-(2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}ethyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate

K906-1740 Screening compound: ethyl 1-(2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}ethyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
K906-1740 Screening compound: ethyl 1-(2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}ethyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-1740
ethyl 1-(2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}ethyl)-5-(4-methoxyphenyl)-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

K906-1740

Molecular Formula

C30H38N2O6 (C30 H38 N2 O6)

Compound Name

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

IUPAC name

ethyl 1-(2-{[2-(34-diethoxyphenyl)ethyl]carbamoyl}ethyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CCC(NCCc(cc2)cc(OCC)c2OCC)=O)c(-c(cc2)ccc2OC)c1)=O

InChI

InChI=1S/C30H38N2O6/c1-6-36-27-14-9-22(19-28(27)37-7-2)15-17-31-29(33)16-18-32-21(4)25(30(34)38-8-3)20-26(32)23-10-12-24(35-5)13-11-23/h9-14,19-20H,6-8,15-18H2,1-5H3,(H,31,33)

InChI Key

VXQFKZGXOIAKLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-4.21

Polar Surface Area

67.927

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K906-1740 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K906-1740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-1740?
Check Price and Availability of K906-1740, 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 K906-1740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-1740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-1740
  • 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 K906-1740 available by request