C561-0905 Screening compound: ethyl 3-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate

C561-0905 Screening compound: ethyl 3-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate
C561-0905 Screening compound: ethyl 3-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0905
ethyl 3-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate

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

C561-0905

Molecular Formula

C31H35ClN4O4 (C31 H35 ClN4 O4)

Compound Name

ethyl 3-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate

IUPAC name

ethyl 3-{3-[2-(4-chlorophenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate

SMILES

CCOC(CC(c(cc1)ccc1OC(C)C)NC(CCc(c(C)nc1c2)c(C)n1nc2-c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C31H35ClN4O4/c1-6-39-31(38)18-27(22-9-13-25(14-10-22)40-19(2)3)34-30(37)16-15-26-20(4)33-29-17-28(35-36(29)21(26)5)23-7-11-24(32)12-8-23/h7-14,17,19,27H,6,15-16,18H2,1-5H3,(H,34,37)/t27-/m0/s1

InChI Key

KSRKUNUCXMMCED-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14770507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.015

Distribution Coefficient, logD

6.007

Water Solubility, LogSw

-6.29

Polar Surface Area

70.513

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

References: we are preparing a list of scientific research reports with C561-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0905?
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What is the minimum amount of C561-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0905
  • 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 C561-0905 available by request