D444-0027 Screening compound: N-{3-[(3-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}furan-2-carboxamide

D444-0027 Screening compound: N-{3-[(3-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}furan-2-carboxamide
D444-0027 Screening compound: N-{3-[(3-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D444-0027
N-{3-[(3-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}furan-2-carboxamide

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

D444-0027

Molecular Formula

C23H20FN3O2S (C23 H20 FN3 O2 S)

Compound Name

N-{3-[(3-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}furan-2-carboxamide

IUPAC name

N-{3-[(3-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}furan-2-carboxamide

SMILES

Cc1cc(C(c2cc(F)ccc2)Nc2nc(C)ccc2)c(NC(c2ccco2)=O)s1

InChI

InChI=1S/C23H20FN3O2S/c1-14-6-3-10-20(25-14)26-21(16-7-4-8-17(24)13-16)18-12-15(2)30-23(18)27-22(28)19-9-5-11-29-19/h3-13,21H,1-2H3,(H,25,26)(H,27,28)/t21-/m1/s1

InChI Key

IJZTWIPTPCMBJW-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD09540615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.358

Distribution Coefficient, logD

5.249

Water Solubility, LogSw

-5.42

Polar Surface Area

50.007

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with D444-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0027?
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What is the minimum amount of D444-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0027
  • 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 D444-0027 available by request