C614-6335 Screening compound: ethyl 3-{[3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanoyl]amino}benzoate

C614-6335 Screening compound: ethyl 3-{[3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanoyl]amino}benzoate
C614-6335 Screening compound: ethyl 3-{[3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6335
ethyl 3-{[3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanoyl]amino}benzoate

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

C614-6335

Molecular Formula

C23H23N5O3 (C23 H23 N5 O3)

Compound Name

ethyl 3-{[3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanoyl]amino}benzoate

IUPAC name

ethyl 3-(3-{46-dimethyl-37810-tetraazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaen-5-yl}propanamido)benzoate

SMILES

CCOC(c1cc(NC(CCc2c(C)n3nc4ncccc4c3nc2C)=O)ccc1)=O

InChI

InChI=1S/C23H23N5O3/c1-4-31-23(30)16-7-5-8-17(13-16)26-20(29)11-10-18-14(2)25-22-19-9-6-12-24-21(19)27-28(22)15(18)3/h5-9,12-13H,4,10-11H2,1-3H3,(H,26,29)

InChI Key

NRGBKALCFMHYOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.343

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-3.55

Polar Surface Area

74.259

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C614-6335 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C614-6335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6335?
Check Price and Availability of C614-6335, 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 C614-6335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6335
  • 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 C614-6335 available by request