G331-0834 Screening compound: 1-(4-fluorophenyl)-3-({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

G331-0834 Screening compound: 1-(4-fluorophenyl)-3-({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea
G331-0834 Screening compound: 1-(4-fluorophenyl)-3-({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0834
1-(4-fluorophenyl)-3-({1-[(2-methylphenyl)methyl]-1H-pyrrol-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

G331-0834

Molecular Formula

C20H20FN3O (C20 H20 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cn2c(CNC(Nc(cc3)ccc3F)=O)ccc2)cccc1

InChI

InChI=1S/C20H20FN3O/c1-15-5-2-3-6-16(15)14-24-12-4-7-19(24)13-22-20(25)23-18-10-8-17(21)9-11-18/h2-12H,13-14H2,1H3,(H2,22,23,25)

InChI Key

FINWYYJLTMXLTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.622

Distribution Coefficient, logD

4.622

Water Solubility, LogSw

-4.27

Polar Surface Area

35.934

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G331-0834 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G331-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0834?
Check Price and Availability of G331-0834, 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 G331-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0834
  • 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 G331-0834 available by request