C282-0008 Screening compound: 3-[2-(1-azepanyl)-4-(4-methoxyphenyl)-6,8-dimethylpyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid

C282-0008 Screening compound: 3-[2-(1-azepanyl)-4-(4-methoxyphenyl)-6,8-dimethylpyrimido[4',5':3,4]pyrazolo[1,5-a]pyrimidin-7-yl]propanoic acid
C282-0008 Screening compound: 3-[2-(1-azepanyl)-4-(4-methoxyphenyl)-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 C282-0008
3-[2-(1-azepanyl)-4-(4-methoxyphenyl)-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

C282-0008

Molecular Formula

C26H30N6O3 (C26 H30 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCC(O)=O)c(C)nc2c3c(-c(cc4)ccc4OC)nc(N4CCCCCC4)nc3nn12

InChI

InChI=1S/C26H30N6O3/c1-16-20(12-13-21(33)34)17(2)32-25(27-16)22-23(18-8-10-19(35-3)11-9-18)28-26(29-24(22)30-32)31-14-6-4-5-7-15-31/h8-11H,4-7,12-15H2,1-3H3,(H,33,34)

InChI Key

MUPMIICJHIIJSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.614

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-4.51

Polar Surface Area

79.288

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C282-0008 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C282-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C282-0008?
Check Price and Availability of C282-0008, 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 C282-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C282-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C282-0008
  • 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 C282-0008 available by request