D135-0111 Screening compound: 3-[5-(4-chlorophenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-pyrrol-2-yl]propanoic acid

D135-0111 Screening compound: 3-[5-(4-chlorophenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-pyrrol-2-yl]propanoic acid
D135-0111 Screening compound: 3-[5-(4-chlorophenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D135-0111
3-[5-(4-chlorophenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-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

D135-0111

Molecular Formula

C22H21ClN2O3 (C22 H21 ClN2 O3)

Compound Name

3-[5-(4-chlorophenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[5-(4-chlorophenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-pyrrol-2-yl]propanoic acid

SMILES

Cc(cccc1)c1NC(Cn1c(-c(cc2)ccc2Cl)ccc1CCC(O)=O)=O

InChI

InChI=1S/C22H21ClN2O3/c1-15-4-2-3-5-19(15)24-21(26)14-25-18(11-13-22(27)28)10-12-20(25)16-6-8-17(23)9-7-16/h2-10,12H,11,13-14H2,1H3,(H,24,26)(H,27,28)

InChI Key

RBJVQGMTPQHWKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05846933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

1.634

Water Solubility, LogSw

-4.50

Polar Surface Area

51.488

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D135-0111 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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 D135-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D135-0111?
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What is the minimum amount of D135-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D135-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D135-0111
  • 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 D135-0111 available by request