8018-7984 Screening compound: N~1~-[(1R,2S)-2-amino-1,2-bis(4-fluorophenyl)ethyl]-4-fluorobenzamide

8018-7984 Screening compound: N~1~-[(1R,2S)-2-amino-1,2-bis(4-fluorophenyl)ethyl]-4-fluorobenzamide
8018-7984 Screening compound: N~1~-[(1R,2S)-2-amino-1,2-bis(4-fluorophenyl)ethyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7984
N~1~-[(1R,2S)-2-amino-1,2-bis(4-fluorophenyl)ethyl]-4-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

8018-7984

Molecular Formula

C21H17F3N2O (C21 H17 F3 N2 O)

Compound Name

N~1~-[(1R,2S)-2-amino-1,2-bis(4-fluorophenyl)ethyl]-4-fluorobenzamide

IUPAC name

N-[(1R2S)-2-amino-12-bis(4-fluorophenyl)ethyl]-4-fluorobenzamide

SMILES

N[C@H]([C@@H](c(cc1)ccc1F)NC(c(cc1)ccc1F)=O)c(cc1)ccc1F

InChI

InChI=1S/C21H17F3N2O/c22-16-7-1-13(2-8-16)19(25)20(14-3-9-17(23)10-4-14)26-21(27)15-5-11-18(24)12-6-15/h1-12,19-20H,25H2,(H,26,27)/t19-,20+/m0/s1

InChI Key

NEBUUFRBUVKYIE-VQTJNVASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.859

Distribution Coefficient, logD

2.823

Water Solubility, LogSw

-3.34

Polar Surface Area

44.700

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

9.52

8018-7984 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 8018-7984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7984?
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What is the minimum amount of 8018-7984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7984
  • 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 8018-7984 available by request