G545-0442 Screening compound: 3-{[(3,5-dimethoxyphenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

G545-0442 Screening compound: 3-{[(3,5-dimethoxyphenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide
G545-0442 Screening compound: 3-{[(3,5-dimethoxyphenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G545-0442
3-{[(3,5-dimethoxyphenyl)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

G545-0442

Molecular Formula

C27H29FN4O4 (C27 H29 FN4 O4)

Compound Name

3-{[(3,5-dimethoxyphenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

IUPAC name

3-{[(35-dimethoxyphenyl)carbamoyl]amino}-N-[(3-fluorophenyl)methyl]-4-(pyrrolidin-1-yl)benzamide

SMILES

COc1cc(NC(Nc(cc(cc2)C(NCc3cccc(F)c3)=O)c2N2CCCC2)=O)cc(OC)c1

InChI

InChI=1S/C27H29FN4O4/c1-35-22-14-21(15-23(16-22)36-2)30-27(34)31-24-13-19(8-9-25(24)32-10-3-4-11-32)26(33)29-17-18-6-5-7-20(28)12-18/h5-9,12-16H,3-4,10-11,17H2,1-2H3,(H,29,33)(H2,30,31,34)

InChI Key

KCIYOBGNEPNEIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15018786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.295

Distribution Coefficient, logD

5.295

Water Solubility, LogSw

-5.30

Polar Surface Area

74.862

Acid Dissociation Constant (pKa)

11.01

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 G545-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G545-0442?
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What is the minimum amount of G545-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G545-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G545-0442
  • 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 G545-0442 available by request