C614-6485 Screening compound: N~1~-(3-bromophenyl)-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide

C614-6485 Screening compound: N~1~-(3-bromophenyl)-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide
C614-6485 Screening compound: N~1~-(3-bromophenyl)-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6485
N~1~-(3-bromophenyl)-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide

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

C614-6485

Molecular Formula

C20H18BrN5O (C20 H18 BrN5 O)

Compound Name

N~1~-(3-bromophenyl)-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide

IUPAC name

N-(3-bromophenyl)-3-{46-dimethyl-37810-tetraazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaen-5-yl}propanamide

SMILES

Cc1c(CCC(Nc2cccc(Br)c2)=O)c(C)nc2c(cccn3)c3nn12

InChI

InChI=1S/C20H18BrN5O/c1-12-16(8-9-18(27)24-15-6-3-5-14(21)11-15)13(2)26-20(23-12)17-7-4-10-22-19(17)25-26/h3-7,10-11H,8-9H2,1-2H3,(H,24,27)

InChI Key

QEHHMVFOGATZIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.369

Distribution Coefficient, logD

3.369

Water Solubility, LogSw

-3.62

Polar Surface Area

53.506

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C614-6485 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Human Kinases Annotated Library (2415 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C614-6485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6485?
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What is the minimum amount of C614-6485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6485
  • 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 C614-6485 available by request