G545-0302 Screening compound: 3-{[(4-ethylphenyl)carbamoyl]amino}-N-[(4-methylphenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

G545-0302 Screening compound: 3-{[(4-ethylphenyl)carbamoyl]amino}-N-[(4-methylphenyl)methyl]-4-(pyrrolidin-1-yl)benzamide
G545-0302 Screening compound: 3-{[(4-ethylphenyl)carbamoyl]amino}-N-[(4-methylphenyl)methyl]-4-(pyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G545-0302
3-{[(4-ethylphenyl)carbamoyl]amino}-N-[(4-methylphenyl)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

G545-0302

Molecular Formula

C28H32N4O2 (C28 H32 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(Nc(cc(cc1)C(NCc2ccc(C)cc2)=O)c1N1CCCC1)=O

InChI

InChI=1S/C28H32N4O2/c1-3-21-10-13-24(14-11-21)30-28(34)31-25-18-23(12-15-26(25)32-16-4-5-17-32)27(33)29-19-22-8-6-20(2)7-9-22/h6-15,18H,3-5,16-17,19H2,1-2H3,(H,29,33)(H2,30,31,34)

InChI Key

QEMZHTHOHNQYEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15018700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.346

Distribution Coefficient, logD

6.345

Water Solubility, LogSw

-5.40

Polar Surface Area

59.774

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G545-0302 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with G545-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G545-0302?
Check Price and Availability of G545-0302, 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 G545-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G545-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G545-0302
  • 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 G545-0302 available by request