S733-1634 Screening compound: N-methyl-4-oxo-1-(phenylsulfonyl)-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide

S733-1634 Screening compound: N-methyl-4-oxo-1-(phenylsulfonyl)-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
S733-1634 Screening compound: N-methyl-4-oxo-1-(phenylsulfonyl)-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-1634
N-methyl-4-oxo-1-(phenylsulfonyl)-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide

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

S733-1634

Molecular Formula

C26H39N5O4S (C26 H39 N5 O4 S)

Compound Name

N-methyl-4-oxo-1-(phenylsulfonyl)-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide

IUPAC name

1-(benzenesulfonyl)-N-methyl-4-oxo-N-[3-(135-trimethyl-1H-pyrazol-4-yl)propyl]-15-diazacycloundecane-8-carboxamide

SMILES

Cc1c(CCCN(C)C(C(CCCN(CC2)S(c3ccccc3)(=O)=O)CCNC2=O)=O)c(C)nn1C

InChI

InChI=1S/C26H39N5O4S/c1-20-24(21(2)30(4)28-20)13-9-17-29(3)26(33)22-10-8-18-31(19-15-25(32)27-16-14-22)36(34,35)23-11-6-5-7-12-23/h5-7,11-12,22H,8-10,13-19H2,1-4H3,(H,27,32)/t22-/m0/s1

InChI Key

WDGMPEHOEDUTBP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD30460843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.367

Distribution Coefficient, logD

0.366

Water Solubility, LogSw

-2.27

Polar Surface Area

88.272

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.69

S733-1634 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S733-1634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-1634?
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What is the minimum amount of S733-1634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-1634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-1634
  • 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 S733-1634 available by request