C282-0012 Screening compound: 3-[4-(4-isopropylphenyl)-6,8-dimethyl-2-(1-pyrrolidinyl)pyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid

C282-0012 Screening compound: 3-[4-(4-isopropylphenyl)-6,8-dimethyl-2-(1-pyrrolidinyl)pyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid
C282-0012 Screening compound: 3-[4-(4-isopropylphenyl)-6,8-dimethyl-2-(1-pyrrolidinyl)pyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C282-0012
3-[4-(4-isopropylphenyl)-6,8-dimethyl-2-(1-pyrrolidinyl)pyrimido[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

C282-0012

Molecular Formula

C26H30N6O2 (C26 H30 N6 O2)

Compound Name

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

IUPAC name

3-{46-dimethyl-13-[4-(propan-2-yl)phenyl]-11-(pyrrolidin-1-yl)-3781012-pentaazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaen-5-yl}propanoic acid

SMILES

CC(C)c(cc1)ccc1-c1nc(N2CCCC2)nc2nn3c(C)c(CCC(O)=O)c(C)nc3c12

InChI

InChI=1S/C26H30N6O2/c1-15(2)18-7-9-19(10-8-18)23-22-24(29-26(28-23)31-13-5-6-14-31)30-32-17(4)20(11-12-21(33)34)16(3)27-25(22)32/h7-10,15H,5-6,11-14H2,1-4H3,(H,33,34)

InChI Key

PXWRUDBMFNAHTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.141

Distribution Coefficient, logD

2.314

Water Solubility, LogSw

-5.11

Polar Surface Area

71.779

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C282-0012 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C282-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C282-0012?
Check Price and Availability of C282-0012, 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 C282-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C282-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C282-0012
  • 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 C282-0012 available by request