6060-0168 Screening compound: 3-[5-(4-bromophenyl)-1-[3-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl]propanoic acid

6060-0168 Screening compound: 3-[5-(4-bromophenyl)-1-[3-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl]propanoic acid
6060-0168 Screening compound: 3-[5-(4-bromophenyl)-1-[3-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6060-0168
3-[5-(4-bromophenyl)-1-[3-(methoxycarbonyl)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

6060-0168

Molecular Formula

C21H18BrNO4 (C21 H18 BrNO4)

Compound Name

3-[5-(4-bromophenyl)-1-[3-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl]propanoic acid

IUPAC name

3-[5-(4-bromophenyl)-1-[3-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl]propanoic acid

SMILES

COC(c1cccc(-n2c(-c(cc3)ccc3Br)ccc2CCC(O)=O)c1)=O

InChI

InChI=1S/C21H18BrNO4/c1-27-21(26)15-3-2-4-18(13-15)23-17(10-12-20(24)25)9-11-19(23)14-5-7-16(22)8-6-14/h2-9,11,13H,10,12H2,1H3,(H,24,25)

InChI Key

LHYQRQZIKLKMKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04127429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.153

Distribution Coefficient, logD

2.339

Water Solubility, LogSw

-4.98

Polar Surface Area

50.953

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6060-0168 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6060-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6060-0168?
Check Price and Availability of 6060-0168, 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 6060-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6060-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6060-0168
  • 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 6060-0168 available by request