D135-0117 Screening compound: 3-(1-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid

D135-0117 Screening compound: 3-(1-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid
D135-0117 Screening compound: 3-(1-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D135-0117
3-(1-{[(2,5-dimethoxyphenyl)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

D135-0117

Molecular Formula

C23H24N2O5 (C23 H24 N2 O5)

Compound Name

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

IUPAC name

3-(1-{[(25-dimethoxyphenyl)carbamoyl]methyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid

SMILES

COc(cc1)cc(NC(Cn2c(-c3ccccc3)ccc2CCC(O)=O)=O)c1OC

InChI

InChI=1S/C23H24N2O5/c1-29-18-10-12-21(30-2)19(14-18)24-22(26)15-25-17(9-13-23(27)28)8-11-20(25)16-6-4-3-5-7-16/h3-8,10-12,14H,9,13,15H2,1-2H3,(H,24,26)(H,27,28)

InChI Key

VIZBBHFFDPRVPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05846939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

0.823

Water Solubility, LogSw

-4.06

Polar Surface Area

66.662

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D135-0117 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D135-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D135-0117?
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What is the minimum amount of D135-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D135-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D135-0117
  • 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 D135-0117 available by request