D135-0013 Screening compound: 3-[1-(4-carbamoylphenyl)-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid

D135-0013 Screening compound: 3-[1-(4-carbamoylphenyl)-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid
D135-0013 Screening compound: 3-[1-(4-carbamoylphenyl)-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D135-0013
3-[1-(4-carbamoylphenyl)-5-(4-methylphenyl)-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

D135-0013

Molecular Formula

C21H20N2O3 (C21 H20 N2 O3)

Compound Name

3-[1-(4-carbamoylphenyl)-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[1-(4-carbamoylphenyl)-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid

SMILES

Cc(cc1)ccc1-c1ccc(CCC(O)=O)n1-c(cc1)ccc1C(N)=O

InChI

InChI=1S/C21H20N2O3/c1-14-2-4-15(5-3-14)19-12-10-18(11-13-20(24)25)23(19)17-8-6-16(7-9-17)21(22)26/h2-10,12H,11,13H2,1H3,(H2,22,26)(H,24,25)

InChI Key

UGXMGPFCNOPGTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05846899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

0.520

Water Solubility, LogSw

-3.36

Polar Surface Area

63.838

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D135-0013 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 D135-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D135-0013?
Check Price and Availability of D135-0013, 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 D135-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D135-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D135-0013
  • 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 D135-0013 available by request