8018-8406 Screening compound: N~1~-{1-[(3-chloro-4-fluoroanilino)carbonyl]-3-methylbutyl}-4-isopropylbenzamide

8018-8406 Screening compound: N~1~-{1-[(3-chloro-4-fluoroanilino)carbonyl]-3-methylbutyl}-4-isopropylbenzamide
8018-8406 Screening compound: N~1~-{1-[(3-chloro-4-fluoroanilino)carbonyl]-3-methylbutyl}-4-isopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8406
N~1~-{1-[(3-chloro-4-fluoroanilino)carbonyl]-3-methylbutyl}-4-isopropylbenzamide

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

8018-8406

Molecular Formula

C22H26ClFN2O2 (C22 H26 ClFN2 O2)

Compound Name

N~1~-{1-[(3-chloro-4-fluoroanilino)carbonyl]-3-methylbutyl}-4-isopropylbenzamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-4-methyl-2-{[4-(propan-2-yl)phenyl]formamido}pentanamide

SMILES

CC(C)CC(C(Nc(cc1)cc(Cl)c1F)=O)NC(c1ccc(C(C)C)cc1)=O

InChI

InChI=1S/C22H26ClFN2O2/c1-13(2)11-20(22(28)25-17-9-10-19(24)18(23)12-17)26-21(27)16-7-5-15(6-8-16)14(3)4/h5-10,12-14,20H,11H2,1-4H3,(H,25,28)(H,26,27)/t20-/m0/s1

InChI Key

RPTGLKRMSVHJEY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD09062734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.850

Distribution Coefficient, logD

5.837

Water Solubility, LogSw

-6.17

Polar Surface Area

47.645

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

8018-8406 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8018-8406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8406?
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What is the minimum amount of 8018-8406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8406
  • 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 8018-8406 available by request