G545-0490 Screening compound: 3-{[(2,5-difluorophenyl)carbamoyl]amino}-N-[(3-ethoxyphenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

G545-0490 Screening compound: 3-{[(2,5-difluorophenyl)carbamoyl]amino}-N-[(3-ethoxyphenyl)methyl]-4-(pyrrolidin-1-yl)benzamide
G545-0490 Screening compound: 3-{[(2,5-difluorophenyl)carbamoyl]amino}-N-[(3-ethoxyphenyl)methyl]-4-(pyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G545-0490
3-{[(2,5-difluorophenyl)carbamoyl]amino}-N-[(3-ethoxyphenyl)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

G545-0490

Molecular Formula

C27H28F2N4O3 (C27 H28 F2 N4 O3)

Compound Name

3-{[(2,5-difluorophenyl)carbamoyl]amino}-N-[(3-ethoxyphenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

IUPAC name

3-{[(25-difluorophenyl)carbamoyl]amino}-N-[(3-ethoxyphenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

SMILES

CCOc1cccc(CNC(c(cc2)cc(NC(Nc(cc(cc3)F)c3F)=O)c2N2CCCC2)=O)c1

InChI

InChI=1S/C27H28F2N4O3/c1-2-36-21-7-5-6-18(14-21)17-30-26(34)19-8-11-25(33-12-3-4-13-33)24(15-19)32-27(35)31-23-16-20(28)9-10-22(23)29/h5-11,14-16H,2-4,12-13,17H2,1H3,(H,30,34)(H2,31,32,35)

InChI Key

ADBVPEUWSQFVJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15018829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.645

Distribution Coefficient, logD

5.616

Water Solubility, LogSw

-5.40

Polar Surface Area

66.200

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with G545-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G545-0490?
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What is the minimum amount of G545-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G545-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G545-0490
  • 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 G545-0490 available by request