L164-0450 Screening compound: 1-[4-(5-bromothiophene-2-sulfonamido)phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide

L164-0450 Screening compound: 1-[4-(5-bromothiophene-2-sulfonamido)phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
L164-0450 Screening compound: 1-[4-(5-bromothiophene-2-sulfonamido)phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L164-0450
1-[4-(5-bromothiophene-2-sulfonamido)phenyl]-N-(4-methylcyclohexyl)cyclopropane-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

L164-0450

Molecular Formula

C21H25BrN2O3S2 (C21 H25 BrN2 O3 S2)

Compound Name

1-[4-(5-bromothiophene-2-sulfonamido)phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide

IUPAC name

1-[4-(5-bromothiophene-2-sulfonamido)phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide

SMILES

CC(CC1)CCC1NC(C1(CC1)c(cc1)ccc1NS(c(s1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C21H25BrN2O3S2/c1-14-2-6-16(7-3-14)23-20(25)21(12-13-21)15-4-8-17(9-5-15)24-29(26,27)19-11-10-18(22)28-19/h4-5,8-11,14,16,24H,2-3,6-7,12-13H2,1H3,(H,23,25)

InChI Key

PNXQBOSTHIGGEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15120225

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

497.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.742

Distribution Coefficient, logD

5.739

Water Solubility, LogSw

-5.56

Polar Surface Area

66.297

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

L164-0450 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L164-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L164-0450?
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What is the minimum amount of L164-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L164-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L164-0450
  • 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 L164-0450 available by request