C990-0049 Screening compound: 3-(3,4-diethoxyphenyl)-6-{[2-(1H-indol-3-yl)ethyl]amino}-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol

C990-0049 Screening compound: 3-(3,4-diethoxyphenyl)-6-{[2-(1H-indol-3-yl)ethyl]amino}-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol
C990-0049 Screening compound: 3-(3,4-diethoxyphenyl)-6-{[2-(1H-indol-3-yl)ethyl]amino}-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C990-0049
3-(3,4-diethoxyphenyl)-6-{[2-(1H-indol-3-yl)ethyl]amino}-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol

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

C990-0049

Molecular Formula

C28H31N5O3 (C28 H31 N5 O3)

Compound Name

3-(3,4-diethoxyphenyl)-6-{[2-(1H-indol-3-yl)ethyl]amino}-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol

IUPAC name

3-(34-diethoxyphenyl)-6-{[2-(1H-indol-3-yl)ethyl]amino}-25-dimethylpyrazolo[15-a]pyrimidin-7-ol

SMILES

CCOc(ccc(-c(c(C)nn12)c2nc(C)c(NCCc2c[nH]c3c2cccc3)c1O)c1)c1OCC

InChI

InChI=1S/C28H31N5O3/c1-5-35-23-12-11-19(15-24(23)36-6-2)25-17(3)32-33-27(25)31-18(4)26(28(33)34)29-14-13-20-16-30-22-10-8-7-9-21(20)22/h7-12,15-16,29-30,34H,5-6,13-14H2,1-4H3

InChI Key

AZSHBLSZCUOTTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.180

Water Solubility, LogSw

-3.36

Polar Surface Area

69.248

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C990-0049 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C990-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C990-0049?
Check Price and Availability of C990-0049, 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 C990-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C990-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C990-0049
  • 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 C990-0049 available by request