G331-0120 Screening compound: 3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(3,4,5-trimethoxyphenyl)urea

G331-0120 Screening compound: 3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(3,4,5-trimethoxyphenyl)urea
G331-0120 Screening compound: 3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(3,4,5-trimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0120
3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(3,4,5-trimethoxyphenyl)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

G331-0120

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(3,4,5-trimethoxyphenyl)urea

IUPAC name

3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(345-trimethoxyphenyl)urea

SMILES

Cc1cccc(Cn2c(CNC(Nc(cc3OC)cc(OC)c3OC)=O)ccc2)c1

InChI

InChI=1S/C23H27N3O4/c1-16-7-5-8-17(11-16)15-26-10-6-9-19(26)14-24-23(27)25-18-12-20(28-2)22(30-4)21(13-18)29-3/h5-13H,14-15H2,1-4H3,(H2,24,25,27)

InChI Key

POLWFQGTERMXDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-3.95

Polar Surface Area

58.912

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G331-0120 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G331-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0120?
Check Price and Availability of G331-0120, 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 G331-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0120
  • 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 G331-0120 available by request