D135-0112 Screening compound: 3-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid

D135-0112 Screening compound: 3-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid
D135-0112 Screening compound: 3-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D135-0112
3-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid

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

D135-0112

Molecular Formula

C22H22N2O4 (C22 H22 N2 O4)

Compound Name

3-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid

IUPAC name

3-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid

SMILES

COc(cccc1)c1NC(Cn1c(-c2ccccc2)ccc1CCC(O)=O)=O

InChI

InChI=1S/C22H22N2O4/c1-28-20-10-6-5-9-18(20)23-21(25)15-24-17(12-14-22(26)27)11-13-19(24)16-7-3-2-4-8-16/h2-11,13H,12,14-15H2,1H3,(H,23,25)(H,26,27)

InChI Key

DZARDFWHLQDPBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05846934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

0.892

Water Solubility, LogSw

-3.98

Polar Surface Area

59.118

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D135-0112 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D135-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D135-0112?
Check Price and Availability of D135-0112, 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 D135-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D135-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D135-0112
  • 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 D135-0112 available by request