C881-1131 Screening compound: N-{3-[benzyl(isopropyl)amino]propyl}-2-[5,6,7,8-tetrahydrocyclohepta[c]pyrazol-2(4H)-yl]acetamide

C881-1131 Screening compound: N-{3-[benzyl(isopropyl)amino]propyl}-2-[5,6,7,8-tetrahydrocyclohepta[c]pyrazol-2(4H)-yl]acetamide
C881-1131 Screening compound: N-{3-[benzyl(isopropyl)amino]propyl}-2-[5,6,7,8-tetrahydrocyclohepta[c]pyrazol-2(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-1131
N-{3-[benzyl(isopropyl)amino]propyl}-2-[5,6,7,8-tetrahydrocyclohepta[c]pyrazol-2(4H)-yl]acetamide

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

C881-1131

Molecular Formula

C23H34N4O (C23 H34 N4 O)

Compound Name

N-{3-[benzyl(isopropyl)amino]propyl}-2-[5,6,7,8-tetrahydrocyclohepta[c]pyrazol-2(4H)-yl]acetamide

IUPAC name

N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{2H4H5H6H7H8H-cyclohepta[c]pyrazol-2-yl}acetamide

SMILES

CC(C)N(CCCNC(Cn1nc(CCCCC2)c2c1)=O)Cc1ccccc1

InChI

InChI=1S/C23H34N4O/c1-19(2)26(16-20-10-5-3-6-11-20)15-9-14-24-23(28)18-27-17-21-12-7-4-8-13-22(21)25-27/h3,5-6,10-11,17,19H,4,7-9,12-16,18H2,1-2H3,(H,24,28)

InChI Key

HMRMBYHSKYBWDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

1.333

Water Solubility, LogSw

-3.25

Polar Surface Area

44.183

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

C881-1131 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C881-1131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-1131?
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What is the minimum amount of C881-1131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-1131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-1131
  • 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 C881-1131 available by request