C684-0039 Screening compound: N-[4-(AMINOSULFONYL)PHENETHYL]-4-(10-METHYLDI[1,2,4]TRIAZOLO[4,3-A:1,5-C]QUINAZOLIN-3-YL)BUTANAMIDE

C684-0039 Screening compound: N-[4-(AMINOSULFONYL)PHENETHYL]-4-(10-METHYLDI[1,2,4]TRIAZOLO[4,3-A:1,5-C]QUINAZOLIN-3-YL)BUTANAMIDE
C684-0039 Screening compound: N-[4-(AMINOSULFONYL)PHENETHYL]-4-(10-METHYLDI[1,2,4]TRIAZOLO[4,3-A:1,5-C]QUINAZOLIN-3-YL)BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C684-0039
N-[4-(AMINOSULFONYL)PHENETHYL]-4-(10-METHYLDI[1,2,4]TRIAZOLO[4,3-A:1,5-C]QUINAZOLIN-3-YL)BUTANAMIDE

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

C684-0039

Molecular Formula

C23H24N8O3S (C23 H24 N8 O3 S)

Compound Name

N-[4-(AMINOSULFONYL)PHENETHYL]-4-(10-METHYLDI[1,2,4]TRIAZOLO[4,3-A:1,5-C]QUINAZOLIN-3-YL)BUTANAMIDE

IUPAC name

4-{9-methyl-2457810-hexaazatetracyclo[10.4.0.0^{26}.0^{711}]hexadeca-1(16)358101214-heptaen-3-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

SMILES

Cc1nn2c3nnc(CCCC(NCCc(cc4)ccc4S(N)(=O)=O)=O)n3c(cccc3)c3c2n1

InChI

InChI=1S/C23H24N8O3S/c1-15-26-22-18-5-2-3-6-19(18)30-20(27-28-23(30)31(22)29-15)7-4-8-21(32)25-14-13-16-9-11-17(12-10-16)35(24,33)34/h2-3,5-6,9-12H,4,7-8,13-14H2,1H3,(H,25,32)(H2,24,33,34)

InChI Key

ABDXYHBRDIHDAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.181

Distribution Coefficient, logD

-0.937

Water Solubility, LogSw

-2.19

Polar Surface Area

119.170

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

C684-0039 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C684-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C684-0039?
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What is the minimum amount of C684-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C684-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C684-0039
  • 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 C684-0039 available by request