C561-1314 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide

C561-1314 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide
C561-1314 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1314
N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-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

C561-1314

Molecular Formula

C31H28N6O (C31 H28 N6 O)

Compound Name

N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide

IUPAC name

N-[4-(1H-13-benzodiazol-2-yl)phenyl]-3-{257-trimethyl-3-phenylpyrazolo[15-a]pyrimidin-6-yl}propanamide

SMILES

Cc1nn2c(C)c(CCC(Nc(cc3)ccc3-c3nc(cccc4)c4[nH]3)=O)c(C)nc2c1-c1ccccc1

InChI

InChI=1S/C31H28N6O/c1-19-25(21(3)37-31(32-19)29(20(2)36-37)22-9-5-4-6-10-22)17-18-28(38)33-24-15-13-23(14-16-24)30-34-26-11-7-8-12-27(26)35-30/h4-16H,17-18H2,1-3H3,(H,33,38)(H,34,35)

InChI Key

ARXSJFFSHOKYMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.357

Distribution Coefficient, logD

5.355

Water Solubility, LogSw

-5.53

Polar Surface Area

62.741

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

C561-1314 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C561-1314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1314?
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What is the minimum amount of C561-1314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1314
  • 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 C561-1314 available by request