C561-0536 Screening compound: ethyl 4-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate

C561-0536 Screening compound: ethyl 4-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate
C561-0536 Screening compound: ethyl 4-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0536
ethyl 4-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}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

C561-0536

Molecular Formula

C28H30N4O5 (C28 H30 N4 O5)

Compound Name

ethyl 4-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate

IUPAC name

ethyl 4-{3-[2-(35-dimethoxyphenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]propanamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCc(c(C)nc1c2)c(C)n1nc2-c1cc(OC)cc(OC)c1)=O)=O

InChI

InChI=1S/C28H30N4O5/c1-6-37-28(34)19-7-9-21(10-8-19)30-27(33)12-11-24-17(2)29-26-16-25(31-32(26)18(24)3)20-13-22(35-4)15-23(14-20)36-5/h7-10,13-16H,6,11-12H2,1-5H3,(H,30,33)

InChI Key

VIMJBPLSTIMVDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

4.904

Water Solubility, LogSw

-4.60

Polar Surface Area

78.440

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C561-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0536?
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What is the minimum amount of C561-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0536
  • 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 C561-0536 available by request