F694-1574 Screening compound: 4-fluoro-N-[3-({[(3-methoxyphenyl)methyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)phenyl]benzamide

F694-1574 Screening compound: 4-fluoro-N-[3-({[(3-methoxyphenyl)methyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)phenyl]benzamide
F694-1574 Screening compound: 4-fluoro-N-[3-({[(3-methoxyphenyl)methyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-1574
4-fluoro-N-[3-({[(3-methoxyphenyl)methyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)phenyl]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

F694-1574

Molecular Formula

C26H27FN4O3 (C26 H27 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CNC(Nc(cc(cc2)NC(c(cc3)ccc3F)=O)c2N2CCCC2)=O)c1

InChI

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

InChI Key

XBODQWGJWVFAQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964189

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

4.546

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.34

Polar Surface Area

67.318

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F694-1574 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F694-1574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-1574?
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What is the minimum amount of F694-1574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-1574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-1574
  • 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 F694-1574 available by request