C800-0872 Screening compound: ethyl 3-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)propanoate

C800-0872 Screening compound: ethyl 3-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)propanoate
C800-0872 Screening compound: ethyl 3-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0872
ethyl 3-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)propanoate

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

C800-0872

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

ethyl 3-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)propanoate

IUPAC name

ethyl 3-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)propanoate

SMILES

CCOC(CCNC(NCc1cccn1Cc1ccccc1)=O)=O

InChI

InChI=1S/C18H23N3O3/c1-2-24-17(22)10-11-19-18(23)20-13-16-9-6-12-21(16)14-15-7-4-3-5-8-15/h3-9,12H,2,10-11,13-14H2,1H3,(H2,19,20,23)

InChI Key

JFXCUCIXLFQNHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.932

Distribution Coefficient, logD

1.932

Water Solubility, LogSw

-2.38

Polar Surface Area

57.528

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C800-0872 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with C800-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0872?
Check Price and Availability of C800-0872, 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 C800-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0872
  • 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 C800-0872 available by request