G331-0648 Screening compound: 1-(3,4-dimethoxyphenyl)-3-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

G331-0648 Screening compound: 1-(3,4-dimethoxyphenyl)-3-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea
G331-0648 Screening compound: 1-(3,4-dimethoxyphenyl)-3-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0648
1-(3,4-dimethoxyphenyl)-3-({1-[(2-fluorophenyl)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

G331-0648

Molecular Formula

C21H22FN3O3 (C21 H22 FN3 O3)

Compound Name

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

IUPAC name

1-(34-dimethoxyphenyl)-3-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

SMILES

COc(ccc(NC(NCc1cccn1Cc(cccc1)c1F)=O)c1)c1OC

InChI

InChI=1S/C21H22FN3O3/c1-27-19-10-9-16(12-20(19)28-2)24-21(26)23-13-17-7-5-11-25(17)14-15-6-3-4-8-18(15)22/h3-12H,13-14H2,1-2H3,(H2,23,24,26)

InChI Key

RDBVXVAJYFAWGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-3.91

Polar Surface Area

51.195

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G331-0648 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G331-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0648?
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What is the minimum amount of G331-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0648
  • 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 G331-0648 available by request