5721-0090 Screening compound: methyl 4-({4-[(2-fluorophenyl)amino]-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl}oxy)benzoate

5721-0090 Screening compound: methyl 4-({4-[(2-fluorophenyl)amino]-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl}oxy)benzoate
5721-0090 Screening compound: methyl 4-({4-[(2-fluorophenyl)amino]-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl}oxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5721-0090
methyl 4-({4-[(2-fluorophenyl)amino]-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl}oxy)benzoate

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

5721-0090

Molecular Formula

C23H24FN5O3 (C23 H24 FN5 O3)

Compound Name

methyl 4-({4-[(2-fluorophenyl)amino]-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl}oxy)benzoate

IUPAC name

methyl 4-({4-[(2-fluorophenyl)amino]-6-(2-methylpiperidin-1-yl)-135-triazin-2-yl}oxy)benzoate

SMILES

CC(CCCC1)N1c1nc(Nc(cccc2)c2F)nc(Oc(cc2)ccc2C(OC)=O)n1

InChI

InChI=1S/C23H24FN5O3/c1-15-7-5-6-14-29(15)22-26-21(25-19-9-4-3-8-18(19)24)27-23(28-22)32-17-12-10-16(11-13-17)20(30)31-2/h3-4,8-13,15H,5-7,14H2,1-2H3,(H,25,26,27,28)/t15-/m0/s1

InChI Key

CRDKXJSSCKHUKK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14710758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.031

Distribution Coefficient, logD

6.031

Water Solubility, LogSw

-5.54

Polar Surface Area

68.840

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 5721-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5721-0090?
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What is the minimum amount of 5721-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5721-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5721-0090
  • 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 5721-0090 available by request