G857-0781 Screening compound: N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{2-phenyl-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl}ethanediamide

G857-0781 Screening compound: N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{2-phenyl-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl}ethanediamide
G857-0781 Screening compound: N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{2-phenyl-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl}ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0781
N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{2-phenyl-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl}ethanediamide

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

G857-0781

Molecular Formula

C21H24N4O2S (C21 H24 N4 O2 S)

Compound Name

N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{2-phenyl-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl}ethanediamide

IUPAC name

N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-{2-phenyl-2H4H6H-thieno[34-c]pyrazol-3-yl}ethanediamide

SMILES

O=C(C(Nc1c(CSC2)c2nn1-c1ccccc1)=O)NCCC1=CCCCC1

InChI

InChI=1S/C21H24N4O2S/c26-20(22-12-11-15-7-3-1-4-8-15)21(27)23-19-17-13-28-14-18(17)24-25(19)16-9-5-2-6-10-16/h2,5-7,9-10H,1,3-4,8,11-14H2,(H,22,26)(H,23,27)

InChI Key

SMXPCQYFXRPKDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07653791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

1.666

Water Solubility, LogSw

-3.46

Polar Surface Area

63.349

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G857-0781 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 G857-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0781?
Check Price and Availability of G857-0781, 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 G857-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0781
  • 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 G857-0781 available by request