6060-0167 Screening compound: 3-[5-(4-chlorophenyl)-1-[3-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl]propanoic acid

6060-0167 Screening compound: 3-[5-(4-chlorophenyl)-1-[3-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl]propanoic acid
6060-0167 Screening compound: 3-[5-(4-chlorophenyl)-1-[3-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6060-0167
3-[5-(4-chlorophenyl)-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

6060-0167

Molecular Formula

C21H18ClNO4 (C21 H18 ClNO4)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cccc(-n2c(-c(cc3)ccc3Cl)ccc2CCC(O)=O)c1)=O

InChI

InChI=1S/C21H18ClNO4/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

HOOAMYITOZBCCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04569592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.83

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

4.914

Distribution Coefficient, logD

2.100

Water Solubility, LogSw

-4.84

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

6060-0167 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6060-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6060-0167?
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What is the minimum amount of 6060-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6060-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6060-0167
  • 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 6060-0167 available by request