G545-0432 Screening compound: N-[(3-fluorophenyl)methyl]-3-{[(4-methoxyphenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)benzamide

G545-0432 Screening compound: N-[(3-fluorophenyl)methyl]-3-{[(4-methoxyphenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)benzamide
G545-0432 Screening compound: N-[(3-fluorophenyl)methyl]-3-{[(4-methoxyphenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G545-0432
N-[(3-fluorophenyl)methyl]-3-{[(4-methoxyphenyl)carbamoyl]amino}-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

G545-0432

Molecular Formula

C26H27FN4O3 (C26 H27 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(Nc(cc(cc1)C(NCc2cccc(F)c2)=O)c1N1CCCC1)=O

InChI

InChI=1S/C26H27FN4O3/c1-34-22-10-8-21(9-11-22)29-26(33)30-23-16-19(7-12-24(23)31-13-2-3-14-31)25(32)28-17-18-5-4-6-20(27)15-18/h4-12,15-16H,2-3,13-14,17H2,1H3,(H,28,32)(H2,29,30,33)

InChI Key

XMPKHYFRRQXSOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15018776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.138

Distribution Coefficient, logD

5.138

Water Solubility, LogSw

-5.10

Polar Surface Area

67.318

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G545-0432 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G545-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G545-0432?
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What is the minimum amount of G545-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G545-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G545-0432
  • 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 G545-0432 available by request