C561-1545 Screening compound: ethyl 3-{3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate

C561-1545 Screening compound: ethyl 3-{3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-[4-(propan-2-yloxy)phenyl]propanoate
C561-1545 Screening compound: ethyl 3-{3-[2-(2,4-dimethoxyphenyl)-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 C561-1545
ethyl 3-{3-[2-(2,4-dimethoxyphenyl)-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

C561-1545

Molecular Formula

C33H40N4O6 (C33 H40 N4 O6)

Compound Name

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

IUPAC name

ethyl 3-{3-[2-(24-dimethoxyphenyl)-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(ccc(OC)c1)c1OC)=O)=O

InChI

InChI=1S/C33H40N4O6/c1-8-42-33(39)19-28(23-9-11-24(12-10-23)43-20(2)3)35-32(38)16-15-26-21(4)34-31-18-29(36-37(31)22(26)5)27-14-13-25(40-6)17-30(27)41-7/h9-14,17-18,20,28H,8,15-16,19H2,1-7H3,(H,35,38)/t28-/m0/s1

InChI Key

UYSFLVCIACXZHE-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14771008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-4.96

Polar Surface Area

85.687

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.40

C561-1545 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C561-1545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1545?
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What is the minimum amount of C561-1545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1545
  • 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 C561-1545 available by request