C326-0021 Screening compound: N~1~-{4-[(acetylamino)sulfonyl]phenyl}-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide

C326-0021 Screening compound: N~1~-{4-[(acetylamino)sulfonyl]phenyl}-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide
C326-0021 Screening compound: N~1~-{4-[(acetylamino)sulfonyl]phenyl}-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C326-0021
N~1~-{4-[(acetylamino)sulfonyl]phenyl}-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide

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

C326-0021

Molecular Formula

C26H24N4O6S (C26 H24 N4 O6 S)

Compound Name

N~1~-{4-[(acetylamino)sulfonyl]phenyl}-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide

IUPAC name

N-[4-(acetamidosulfonyl)phenyl]-3-{9-methyl-11-oxo-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-10-yl}benzamide

SMILES

CC(CC1N2)(N(c3cccc(C(Nc(cc4)ccc4S(NC(C)=O)(=O)=O)=O)c3)C2=O)Oc2c1cccc2

InChI

InChI=1S/C26H24N4O6S/c1-16(31)29-37(34,35)20-12-10-18(11-13-20)27-24(32)17-6-5-7-19(14-17)30-25(33)28-22-15-26(30,2)36-23-9-4-3-8-21(22)23/h3-14,22H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,31)

InChI Key

IQFBMUSAMMPZMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

0.322

Water Solubility, LogSw

-3.36

Polar Surface Area

111.167

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

C326-0021 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C326-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0021?
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What is the minimum amount of C326-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0021
  • 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 C326-0021 available by request