G545-0438 Screening compound: 3-{[(2,4-dimethylphenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

G545-0438 Screening compound: 3-{[(2,4-dimethylphenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide
G545-0438 Screening compound: 3-{[(2,4-dimethylphenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G545-0438
3-{[(2,4-dimethylphenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

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

G545-0438

Molecular Formula

C27H29FN4O2 (C27 H29 FN4 O2)

Compound Name

3-{[(2,4-dimethylphenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

IUPAC name

3-{[(24-dimethylphenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

SMILES

Cc(cc1)cc(C)c1NC(Nc(cc(cc1)C(NCc2cccc(F)c2)=O)c1N1CCCC1)=O

InChI

InChI=1S/C27H29FN4O2/c1-18-8-10-23(19(2)14-18)30-27(34)31-24-16-21(9-11-25(24)32-12-3-4-13-32)26(33)29-17-20-6-5-7-22(28)15-20/h5-11,14-16H,3-4,12-13,17H2,1-2H3,(H,29,33)(H2,30,31,34)

InChI Key

HMCJRNHNQKEGSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15018782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.639

Distribution Coefficient, logD

5.638

Water Solubility, LogSw

-5.34

Polar Surface Area

59.077

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

G545-0438 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G545-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G545-0438?
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What is the minimum amount of G545-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G545-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G545-0438
  • 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 G545-0438 available by request