SA14-1408 Screening compound: N~6~-ISOPROPYL-4-PHENYL-12-(2-THIENYLCARBONYL)-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

SA14-1408 Screening compound: N~6~-ISOPROPYL-4-PHENYL-12-(2-THIENYLCARBONYL)-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE
SA14-1408 Screening compound: N~6~-ISOPROPYL-4-PHENYL-12-(2-THIENYLCARBONYL)-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 SA14-1408
N~6~-ISOPROPYL-4-PHENYL-12-(2-THIENYLCARBONYL)-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

SA14-1408

Molecular Formula

C24H26N4O2S (C24 H26 N4 O2 S)

Compound Name

N~6~-ISOPROPYL-4-PHENYL-12-(2-THIENYLCARBONYL)-3,5,12-TRIAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE-6-CARBOXAMIDE

IUPAC name

(1R9S)-4-phenyl-N-(propan-2-yl)-12-(thiophene-2-carbonyl)-3512-triazatricyclo[7.2.1.0^{37}]dodeca-46-diene-6-carboxamide

SMILES

c1(c2n(c(n1)c1ccccc1)C[C@@H]1N(C(c3sccc3)=O)[C@H](C2)CC1)C(NC(C)C)=O

InChI

InChI=1S/C24H26N4O2S/c1-15(2)25-23(29)21-19-13-17-10-11-18(28(17)24(30)20-9-6-12-31-20)14-27(19)22(26-21)16-7-4-3-5-8-16/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3,(H,25,29)/t17-,18+/m1/s1

InChI Key

LTHVAUVVVBHFIV-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.34

Polar Surface Area

51.018

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

SA14-1408 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA14-1408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA14-1408?
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What is the minimum amount of SA14-1408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA14-1408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA14-1408
  • 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 SA14-1408 available by request