C282-0013 Screening compound: 3-[2-(1-azepanyl)-4-(4-isopropylphenyl)-6,8-dimethylpyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid

C282-0013 Screening compound: 3-[2-(1-azepanyl)-4-(4-isopropylphenyl)-6,8-dimethylpyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid
C282-0013 Screening compound: 3-[2-(1-azepanyl)-4-(4-isopropylphenyl)-6,8-dimethylpyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C282-0013
3-[2-(1-azepanyl)-4-(4-isopropylphenyl)-6,8-dimethylpyrimido[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

C282-0013

Molecular Formula

C28H34N6O2 (C28 H34 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1-c1nc(N2CCCCCC2)nc2nn3c(C)c(CCC(O)=O)c(C)nc3c12

InChI

InChI=1S/C28H34N6O2/c1-17(2)20-9-11-21(12-10-20)25-24-26(31-28(30-25)33-15-7-5-6-8-16-33)32-34-19(4)22(13-14-23(35)36)18(3)29-27(24)34/h9-12,17H,5-8,13-16H2,1-4H3,(H,35,36)

InChI Key

DKQUHSMRFCTXHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.62

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

5.969

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-5.55

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

46.40

C282-0013 in Drug Discovery

Included in Screening Libraries

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

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 C282-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C282-0013?
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What is the minimum amount of C282-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C282-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C282-0013
  • 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 C282-0013 available by request