L273-0178 Screening compound: 3-(1-AZEPANYLCARBONYL)-N-[5-(1-AZEPANYLSULFONYL)-2-THIENYL]TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

L273-0178 Screening compound: 3-(1-AZEPANYLCARBONYL)-N-[5-(1-AZEPANYLSULFONYL)-2-THIENYL]TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE
L273-0178 Screening compound: 3-(1-AZEPANYLCARBONYL)-N-[5-(1-AZEPANYLSULFONYL)-2-THIENYL]TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L273-0178
3-(1-AZEPANYLCARBONYL)-N-[5-(1-AZEPANYLSULFONYL)-2-THIENYL]TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

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

L273-0178

Molecular Formula

C23H36N4O4S2 (C23 H36 N4 O4 S2)

Compound Name

3-(1-AZEPANYLCARBONYL)-N-[5-(1-AZEPANYLSULFONYL)-2-THIENYL]TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(C(CCC1)CN1C(Nc(s1)ccc1S(N1CCCCCC1)(=O)=O)=O)N1CCCCCC1

InChI

InChI=1S/C23H36N4O4S2/c28-22(25-13-5-1-2-6-14-25)19-10-9-15-26(18-19)23(29)24-20-11-12-21(32-20)33(30,31)27-16-7-3-4-8-17-27/h11-12,19H,1-10,13-18H2,(H,24,29)/t19-/m0/s1

InChI Key

QRKJFQOQOPOCER-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.56

Polar Surface Area

75.154

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.90

L273-0178 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L273-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L273-0178?
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What is the minimum amount of L273-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L273-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L273-0178
  • 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 L273-0178 available by request