C561-1554 Screening compound: ethyl 3-{3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-(thiophen-2-yl)propanoate

C561-1554 Screening compound: ethyl 3-{3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-(thiophen-2-yl)propanoate
C561-1554 Screening compound: ethyl 3-{3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-(thiophen-2-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1554
ethyl 3-{3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-(thiophen-2-yl)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

C561-1554

Molecular Formula

C28H32N4O5S (C28 H32 N4 O5 S)

Compound Name

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

IUPAC name

ethyl 3-{3-[2-(24-dimethoxyphenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]propanamido}-3-(thiophen-2-yl)propanoate

SMILES

CCOC(CC(c1cccs1)NC(CCc(c(C)nc1c2)c(C)n1nc2-c(ccc(OC)c1)c1OC)=O)=O

InChI

InChI=1S/C28H32N4O5S/c1-6-37-28(34)16-23(25-8-7-13-38-25)30-27(33)12-11-20-17(2)29-26-15-22(31-32(26)18(20)3)21-10-9-19(35-4)14-24(21)36-5/h7-10,13-15,23H,6,11-12,16H2,1-5H3,(H,30,33)/t23-/m0/s1

InChI Key

TWLLOFBKSJVDPK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14771015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

4.042

Water Solubility, LogSw

-4.24

Polar Surface Area

79.903

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

C561-1554 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 C561-1554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1554?
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What is the minimum amount of C561-1554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1554
  • 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 C561-1554 available by request