C795-0691 Screening compound: N4-cyclohexyl-N2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide

C795-0691 Screening compound: N4-cyclohexyl-N2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
C795-0691 Screening compound: N4-cyclohexyl-N2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0691
N4-cyclohexyl-N2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide

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

C795-0691

Molecular Formula

C22H29N3O3 (C22 H29 N3 O3)

Compound Name

N4-cyclohexyl-N2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide

IUPAC name

N4-cyclohexyl-N2-[(4-methoxyphenyl)methyl]-35-dimethyl-1H-pyrrole-24-dicarboxamide

SMILES

Cc1c(C(NCc(cc2)ccc2OC)=O)[nH]c(C)c1C(NC1CCCCC1)=O

InChI

InChI=1S/C22H29N3O3/c1-14-19(21(26)25-17-7-5-4-6-8-17)15(2)24-20(14)22(27)23-13-16-9-11-18(28-3)12-10-16/h9-12,17,24H,4-8,13H2,1-3H3,(H,23,27)(H,25,26)

InChI Key

OMAZDDYRTMLJLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.78

Polar Surface Area

67.316

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C795-0691 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C795-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0691?
Check Price and Availability of C795-0691, 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 C795-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0691
  • 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 C795-0691 available by request