F019-0565 Screening compound: methyl 4-{6-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate

F019-0565 Screening compound: methyl 4-{6-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
F019-0565 Screening compound: methyl 4-{6-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-0565
methyl 4-{6-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}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

F019-0565

Molecular Formula

C23H22ClN5O5 (C23 H22 ClN5 O5)

Compound Name

methyl 4-{6-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate

IUPAC name

methyl 4-{6-[(4-chloro-25-dimethoxyphenyl)carbamoyl]-5-methyl-4H7H-[124]triazolo[15-a]pyrimidin-7-yl}benzoate

SMILES

CC(Nc1ncnn1C1c(cc2)ccc2C(OC)=O)=C1C(Nc(c(OC)c1)cc(OC)c1Cl)=O

InChI

InChI=1S/C23H22ClN5O5/c1-12-19(21(30)28-16-10-17(32-2)15(24)9-18(16)33-3)20(29-23(27-12)25-11-26-29)13-5-7-14(8-6-13)22(31)34-4/h5-11,20H,1-4H3,(H,28,30)(H,25,26,27)/t20-/m0/s1

InChI Key

SHIPFJAPSWTWSP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06005597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.678

Distribution Coefficient, logD

3.655

Water Solubility, LogSw

-4.23

Polar Surface Area

96.818

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

F019-0565 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F019-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-0565?
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What is the minimum amount of F019-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-0565
  • 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 F019-0565 available by request