G331-0612 Screening compound: ethyl 3-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}-3-phenylpropanoate

G331-0612 Screening compound: ethyl 3-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}-3-phenylpropanoate
G331-0612 Screening compound: ethyl 3-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0612
ethyl 3-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}-3-phenylpropanoate

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

G331-0612

Molecular Formula

C24H26ClN3O3 (C24 H26 ClN3 O3)

Compound Name

ethyl 3-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}-3-phenylpropanoate

IUPAC name

ethyl 3-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}-3-phenylpropanoate

SMILES

CCOC(CC(c1ccccc1)NC(NCc1cccn1Cc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C24H26ClN3O3/c1-2-31-23(29)15-22(19-7-4-3-5-8-19)27-24(30)26-16-21-9-6-14-28(21)17-18-10-12-20(25)13-11-18/h3-14,22H,2,15-17H2,1H3,(H2,26,27,30)/t22-/m0/s1

InChI Key

QCWPDJGOEUVYEW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14998445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.63

Polar Surface Area

57.045

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

-3.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G331-0612 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G331-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0612?
Check Price and Availability of G331-0612, 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 G331-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0612
  • 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 G331-0612 available by request