G331-0072 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-[(oxolan-2-yl)methyl]urea

G331-0072 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-[(oxolan-2-yl)methyl]urea
G331-0072 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-[(oxolan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0072
3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-[(oxolan-2-yl)methyl]urea

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

G331-0072

Molecular Formula

C18H23N3O2 (C18 H23 N3 O2)

Compound Name

3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-[(oxolan-2-yl)methyl]urea

IUPAC name

3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-[(oxolan-2-yl)methyl]urea

SMILES

O=C(NCC1OCCC1)NCc1cccn1Cc1ccccc1

InChI

InChI=1S/C18H23N3O2/c22-18(20-13-17-9-5-11-23-17)19-12-16-8-4-10-21(16)14-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11-14H2,(H2,19,20,22)/t17-/m1/s1

InChI Key

YJRIJHWFNLYROM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27135349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.901

Distribution Coefficient, logD

1.901

Water Solubility, LogSw

-2.25

Polar Surface Area

45.910

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

G331-0072 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G331-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0072?
Check Price and Availability of G331-0072, 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 G331-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0072
  • 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 G331-0072 available by request