S733-1909 Screening compound: 1-(2-methoxyacetyl)-N~8~-(2-methoxybenzyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide

S733-1909 Screening compound: 1-(2-methoxyacetyl)-N~8~-(2-methoxybenzyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
S733-1909 Screening compound: 1-(2-methoxyacetyl)-N~8~-(2-methoxybenzyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-1909
1-(2-methoxyacetyl)-N~8~-(2-methoxybenzyl)-4-oxo-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

S733-1909

Molecular Formula

C21H31N3O5 (C21 H31 N3 O5)

Compound Name

1-(2-methoxyacetyl)-N~8~-(2-methoxybenzyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide

IUPAC name

n/a

SMILES

COCC(N(CCCC(CCN1)C(NCc(cccc2)c2OC)=O)CCC1=O)=O

InChI

InChI=1S/C21H31N3O5/c1-28-15-20(26)24-12-5-7-16(9-11-22-19(25)10-13-24)21(27)23-14-17-6-3-4-8-18(17)29-2/h3-4,6,8,16H,5,7,9-15H2,1-2H3,(H,22,25)(H,23,27)/t16-/m0/s1

InChI Key

AVRCRTFUXYIHNU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30461319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.630

Distribution Coefficient, logD

-0.630

Water Solubility, LogSw

-1.63

Polar Surface Area

82.453

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

S733-1909 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S733-1909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-1909?
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What is the minimum amount of S733-1909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-1909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-1909
  • 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 S733-1909 available by request