C282-0003 Screening compound: 3-[2-(1-azepanyl)-6,8-dimethyl-4-phenylpyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid

C282-0003 Screening compound: 3-[2-(1-azepanyl)-6,8-dimethyl-4-phenylpyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid
C282-0003 Screening compound: 3-[2-(1-azepanyl)-6,8-dimethyl-4-phenylpyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C282-0003
3-[2-(1-azepanyl)-6,8-dimethyl-4-phenylpyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid

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

C282-0003

Molecular Formula

C25H28N6O2 (C25 H28 N6 O2)

Compound Name

3-[2-(1-azepanyl)-6,8-dimethyl-4-phenylpyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid

IUPAC name

3-[11-(azepan-1-yl)-46-dimethyl-13-phenyl-3781012-pentaazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaen-5-yl]propanoic acid

SMILES

Cc1c(CCC(O)=O)c(C)nc2c3c(-c4ccccc4)nc(N4CCCCCC4)nc3nn12

InChI

InChI=1S/C25H28N6O2/c1-16-19(12-13-20(32)33)17(2)31-24(26-16)21-22(18-10-6-5-7-11-18)27-25(28-23(21)29-31)30-14-8-3-4-9-15-30/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3,(H,32,33)

InChI Key

NIFAXSBJGRCEAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

1.699

Water Solubility, LogSw

-4.44

Polar Surface Area

71.744

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C282-0003 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with C282-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C282-0003?
Check Price and Availability of C282-0003, 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 C282-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C282-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C282-0003
  • 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 C282-0003 available by request