L271-0101 Screening compound: 4-(3-methylbenzoyl)-N-[5-(morpholine-4-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide

L271-0101 Screening compound: 4-(3-methylbenzoyl)-N-[5-(morpholine-4-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide
L271-0101 Screening compound: 4-(3-methylbenzoyl)-N-[5-(morpholine-4-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L271-0101
4-(3-methylbenzoyl)-N-[5-(morpholine-4-sulfonyl)thiophen-2-yl]-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

L271-0101

Molecular Formula

C22H28N4O5S2 (C22 H28 N4 O5 S2)

Compound Name

4-(3-methylbenzoyl)-N-[5-(morpholine-4-sulfonyl)thiophen-2-yl]-1,4-diazepane-1-carboxamide

IUPAC name

4-(3-methylbenzoyl)-N-[5-(morpholine-4-sulfonyl)thiophen-2-yl]-14-diazepane-1-carboxamide

SMILES

Cc1cccc(C(N(CCC2)CCN2C(Nc(s2)ccc2S(N2CCOCC2)(=O)=O)=O)=O)c1

InChI

InChI=1S/C22H28N4O5S2/c1-17-4-2-5-18(16-17)21(27)24-8-3-9-25(11-10-24)22(28)23-19-6-7-20(32-19)33(29,30)26-12-14-31-15-13-26/h2,4-7,16H,3,8-15H2,1H3,(H,23,28)

InChI Key

GNNTUKJXSCSCAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15122375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.930

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-2.75

Polar Surface Area

82.606

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L271-0101 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L271-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L271-0101?
Check Price and Availability of L271-0101, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L271-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L271-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L271-0101
  • 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 L271-0101 available by request