C561-0939 Screening compound: 1,3-dimethyl 5-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamido)benzene-1,3-dicarboxylate

C561-0939 Screening compound: 1,3-dimethyl 5-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamido)benzene-1,3-dicarboxylate
C561-0939 Screening compound: 1,3-dimethyl 5-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0939
1,3-dimethyl 5-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamido)benzene-1,3-dicarboxylate

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

C561-0939

Molecular Formula

C27H26N4O5 (C27 H26 N4 O5)

Compound Name

1,3-dimethyl 5-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(3-{57-dimethyl-2-phenylpyrazolo[15-a]pyrimidin-6-yl}propanamido)benzene-13-dicarboxylate

SMILES

Cc1c(CCC(Nc2cc(C(OC)=O)cc(C(OC)=O)c2)=O)c(C)nc2cc(-c3ccccc3)nn12

InChI

InChI=1S/C27H26N4O5/c1-16-22(17(2)31-24(28-16)15-23(30-31)18-8-6-5-7-9-18)10-11-25(32)29-21-13-19(26(33)35-3)12-20(14-21)27(34)36-4/h5-9,12-15H,10-11H2,1-4H3,(H,29,32)

InChI Key

NCYPHWPFCNLTFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.773

Distribution Coefficient, logD

4.765

Water Solubility, LogSw

-4.65

Polar Surface Area

84.946

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C561-0939 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

MCL1 Targeted Library (12200 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C561-0939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0939?
Check Price and Availability of C561-0939, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C561-0939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0939
  • 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 C561-0939 available by request