G331-0856 Screening compound: 1-({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-propylurea

G331-0856 Screening compound: 1-({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-propylurea
G331-0856 Screening compound: 1-({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0856
1-({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-propylurea

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

G331-0856

Molecular Formula

C17H23N3O (C17 H23 N3 O)

Compound Name

1-({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-propylurea

IUPAC name

1-({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-3-propylurea

SMILES

CCCNC(NCc1cccn1Cc1c(C)cccc1)=O

InChI

InChI=1S/C17H23N3O/c1-3-10-18-17(21)19-12-16-9-6-11-20(16)13-15-8-5-4-7-14(15)2/h4-9,11H,3,10,12-13H2,1-2H3,(H2,18,19,21)

InChI Key

HLLDEYJNUNNBGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-3.23

Polar Surface Area

37.369

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G331-0856 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G331-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0856?
Check Price and Availability of G331-0856, 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 G331-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0856
  • 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 G331-0856 available by request