G331-0178 Screening compound: 3-({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-methylphenyl)urea

G331-0178 Screening compound: 3-({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-methylphenyl)urea
G331-0178 Screening compound: 3-({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0178
3-({1-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(4-methylphenyl)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

G331-0178

Molecular Formula

C20H20FN3O (C20 H20 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(NCc1cccn1Cc1cccc(F)c1)=O

InChI

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

InChI Key

HSBBVIPWCFIPLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998176

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

4.355

Distribution Coefficient, logD

4.355

Water Solubility, LogSw

-4.34

Polar Surface Area

35.934

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with G331-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0178?
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What is the minimum amount of G331-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0178
  • 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 G331-0178 available by request