SA14-1358 Screening compound: N~6~,N~6~-DIMETHYL-12-[(4-METHYL-1,3-OXAZOL-5-YL)CARBONYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

SA14-1358 Screening compound: N~6~,N~6~-DIMETHYL-12-[(4-METHYL-1,3-OXAZOL-5-YL)CARBONYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE
SA14-1358 Screening compound: N~6~,N~6~-DIMETHYL-12-[(4-METHYL-1,3-OXAZOL-5-YL)CARBONYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA14-1358
N~6~,N~6~-DIMETHYL-12-[(4-METHYL-1,3-OXAZOL-5-YL)CARBONYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-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

SA14-1358

Molecular Formula

C23H25N5O3 (C23 H25 N5 O3)

Compound Name

N~6~,N~6~-DIMETHYL-12-[(4-METHYL-1,3-OXAZOL-5-YL)CARBONYL]-4-PHENYL-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

IUPAC name

(1R9S)-NN-dimethyl-12-(4-methyl-13-oxazole-5-carbonyl)-4-phenyl-3512-triazatricyclo[7.2.1.0^{37}]dodeca-46-diene-6-carboxamide

SMILES

c1(c2n(c(n1)c1ccccc1)C[C@@H]1N(C(c3c(nco3)C)=O)[C@H](C2)CC1)C(N(C)C)=O

InChI

InChI=1S/C23H25N5O3/c1-14-20(31-13-24-14)23(30)28-16-9-10-17(28)12-27-18(11-16)19(22(29)26(2)3)25-21(27)15-7-5-4-6-8-15/h4-8,13,16-17H,9-12H2,1-3H3/t16-,17+/m1/s1

InChI Key

BTWLMFJQJZCENA-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.813

Distribution Coefficient, logD

0.813

Water Solubility, LogSw

-1.35

Polar Surface Area

61.255

Acid Dissociation Constant (pKa)

23.20

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

SA14-1358 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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:
  • Mimetics

References: we are preparing a list of scientific research reports with SA14-1358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA14-1358?
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What is the minimum amount of SA14-1358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA14-1358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA14-1358
  • 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 SA14-1358 available by request