C707-0657 Screening compound: 2-(5-chloro-3-phenyl-1H-indazol-1-yl)-N-[(thiophen-2-yl)methyl]butanamide

C707-0657 Screening compound: 2-(5-chloro-3-phenyl-1H-indazol-1-yl)-N-[(thiophen-2-yl)methyl]butanamide
C707-0657 Screening compound: 2-(5-chloro-3-phenyl-1H-indazol-1-yl)-N-[(thiophen-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C707-0657
2-(5-chloro-3-phenyl-1H-indazol-1-yl)-N-[(thiophen-2-yl)methyl]butanamide

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

C707-0657

Molecular Formula

C22H20ClN3OS (C22 H20 ClN3 OS)

Compound Name

2-(5-chloro-3-phenyl-1H-indazol-1-yl)-N-[(thiophen-2-yl)methyl]butanamide

IUPAC name

2-(5-chloro-3-phenyl-1H-indazol-1-yl)-N-[(thiophen-2-yl)methyl]butanamide

SMILES

CCC(C(NCc1cccs1)=O)n(c(cc1)c2cc1Cl)nc2-c1ccccc1

InChI

InChI=1S/C22H20ClN3OS/c1-2-19(22(27)24-14-17-9-6-12-28-17)26-20-11-10-16(23)13-18(20)21(25-26)15-7-4-3-5-8-15/h3-13,19H,2,14H2,1H3,(H,24,27)/t19-/m0/s1

InChI Key

JITGMOXDQSSFKO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14786681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.94

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.283

Distribution Coefficient, logD

5.283

Water Solubility, LogSw

-5.80

Polar Surface Area

39.322

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C707-0657 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C707-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C707-0657?
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What is the minimum amount of C707-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C707-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C707-0657
  • 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 C707-0657 available by request