L271-0123 Screening compound: N-[5-(azepane-1-sulfonyl)thiophen-2-yl]-4-cyclopropanecarbonyl-1,4-diazepane-1-carboxamide

L271-0123 Screening compound: N-[5-(azepane-1-sulfonyl)thiophen-2-yl]-4-cyclopropanecarbonyl-1,4-diazepane-1-carboxamide
L271-0123 Screening compound: N-[5-(azepane-1-sulfonyl)thiophen-2-yl]-4-cyclopropanecarbonyl-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L271-0123
N-[5-(azepane-1-sulfonyl)thiophen-2-yl]-4-cyclopropanecarbonyl-1,4-diazepane-1-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

L271-0123

Molecular Formula

C20H30N4O4S2 (C20 H30 N4 O4 S2)

Compound Name

N-[5-(azepane-1-sulfonyl)thiophen-2-yl]-4-cyclopropanecarbonyl-1,4-diazepane-1-carboxamide

IUPAC name

N-[5-(azepane-1-sulfonyl)thiophen-2-yl]-4-cyclopropanecarbonyl-14-diazepane-1-carboxamide

SMILES

O=C(C1CC1)N(CCC1)CCN1C(Nc(s1)ccc1S(N1CCCCCC1)(=O)=O)=O

InChI

InChI=1S/C20H30N4O4S2/c25-19(16-6-7-16)22-10-5-11-23(15-14-22)20(26)21-17-8-9-18(29-17)30(27,28)24-12-3-1-2-4-13-24/h8-9,16H,1-7,10-15H2,(H,21,26)

InChI Key

NRWCGBNYEORJKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15122383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.61

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

2.568

Distribution Coefficient, logD

2.568

Water Solubility, LogSw

-3.06

Polar Surface Area

75.552

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

L271-0123 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 L271-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L271-0123?
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What is the minimum amount of L271-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L271-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L271-0123
  • 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 L271-0123 available by request