L445-0080 Screening compound: N4-CYCLOHEPTYL-1-{4-[(METHYLSULFONYL)AMINO]BENZOYL}-4-PIPERIDINECARBOXAMIDE

L445-0080 Screening compound: N4-CYCLOHEPTYL-1-{4-[(METHYLSULFONYL)AMINO]BENZOYL}-4-PIPERIDINECARBOXAMIDE
L445-0080 Screening compound: N4-CYCLOHEPTYL-1-{4-[(METHYLSULFONYL)AMINO]BENZOYL}-4-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L445-0080
N4-CYCLOHEPTYL-1-{4-[(METHYLSULFONYL)AMINO]BENZOYL}-4-PIPERIDINECARBOXAMIDE

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

L445-0080

Molecular Formula

C21H31N3O4S (C21 H31 N3 O4 S)

Compound Name

N4-CYCLOHEPTYL-1-{4-[(METHYLSULFONYL)AMINO]BENZOYL}-4-PIPERIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

CS(Nc(cc1)ccc1C(N(CC1)CCC1C(NC1CCCCCC1)=O)=O)(=O)=O

InChI

InChI=1S/C21H31N3O4S/c1-29(27,28)23-19-10-8-17(9-11-19)21(26)24-14-12-16(13-15-24)20(25)22-18-6-4-2-3-5-7-18/h8-11,16,18,23H,2-7,12-15H2,1H3,(H,22,25)

InChI Key

CCOWZCXIULGRJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127713

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.992

Distribution Coefficient, logD

1.608

Water Solubility, LogSw

-2.55

Polar Surface Area

83.224

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

L445-0080 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with L445-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L445-0080?
Check Price and Availability of L445-0080, 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 L445-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L445-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L445-0080
  • 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 L445-0080 available by request