L165-0780 Screening compound: N-(4-{1-[(CYCLOHEXYLMETHYL)CARBAMOYL]CYCLOPROPYL}PHENYL)-2-FLUOROBENZAMIDE

L165-0780 Screening compound: N-(4-{1-[(CYCLOHEXYLMETHYL)CARBAMOYL]CYCLOPROPYL}PHENYL)-2-FLUOROBENZAMIDE
L165-0780 Screening compound: N-(4-{1-[(CYCLOHEXYLMETHYL)CARBAMOYL]CYCLOPROPYL}PHENYL)-2-FLUOROBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L165-0780
N-(4-{1-[(CYCLOHEXYLMETHYL)CARBAMOYL]CYCLOPROPYL}PHENYL)-2-FLUOROBENZAMIDE

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

L165-0780

Molecular Formula

C24H27FN2O2 (C24 H27 FN2 O2)

Compound Name

N-(4-{1-[(CYCLOHEXYLMETHYL)CARBAMOYL]CYCLOPROPYL}PHENYL)-2-FLUOROBENZAMIDE

IUPAC name

N-(4-{1-[(cyclohexylmethyl)carbamoyl]cyclopropyl}phenyl)-2-fluorobenzamide

SMILES

O=C(C1(CC1)c(cc1)ccc1NC(c(cccc1)c1F)=O)NCC1CCCCC1

InChI

InChI=1S/C24H27FN2O2/c25-21-9-5-4-8-20(21)22(28)27-19-12-10-18(11-13-19)24(14-15-24)23(29)26-16-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-16H2,(H,26,29)(H,27,28)

InChI Key

OJALIGKHJRJCBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119839

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.64

Polar Surface Area

48.187

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

L165-0780 in Drug Discovery

Included in Screening Libraries

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 L165-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L165-0780?
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What is the minimum amount of L165-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L165-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L165-0780
  • 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 L165-0780 available by request