C535-0890 Screening compound: 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-furylmethyl)-4-piperidinecarboxamide

C535-0890 Screening compound: 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-furylmethyl)-4-piperidinecarboxamide
C535-0890 Screening compound: 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-furylmethyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C535-0890
1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-furylmethyl)-4-piperidinecarboxamide

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

C535-0890

Molecular Formula

C27H31N5O4 (C27 H31 N5 O4)

Compound Name

1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-furylmethyl)-4-piperidinecarboxamide

IUPAC name

1-[3-(34-dimethoxyphenyl)-25-dimethylpyrazolo[15-a]pyrimidin-7-yl]-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

SMILES

Cc1nn2c(N(CC3)CCC3C(NCc3ccco3)=O)cc(C)nc2c1-c(cc1)cc(OC)c1OC

InChI

InChI=1S/C27H31N5O4/c1-17-14-24(31-11-9-19(10-12-31)27(33)28-16-21-6-5-13-36-21)32-26(29-17)25(18(2)30-32)20-7-8-22(34-3)23(15-20)35-4/h5-8,13-15,19H,9-12,16H2,1-4H3,(H,28,33)

InChI Key

DETMRLPDKABRDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

1.761

Water Solubility, LogSw

-3.41

Polar Surface Area

70.280

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

C535-0890 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C535-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C535-0890?
Check Price and Availability of C535-0890, 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 C535-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C535-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C535-0890
  • 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 C535-0890 available by request