8018-8978 Screening compound: N-{2-[(4-chlorophenyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-methylbenzamide

8018-8978 Screening compound: N-{2-[(4-chlorophenyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-methylbenzamide
8018-8978 Screening compound: N-{2-[(4-chlorophenyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8978
N-{2-[(4-chlorophenyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-methylbenzamide

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

8018-8978

Molecular Formula

C17H13ClF6N2O (C17 H13 ClF6 N2 O)

Compound Name

N-{2-[(4-chlorophenyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-methylbenzamide

IUPAC name

N-{2-[(4-chlorophenyl)amino]-111333-hexafluoropropan-2-yl}-2-methylbenzamide

SMILES

Cc(cccc1)c1C(NC(C(F)(F)F)(C(F)(F)F)Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C17H13ClF6N2O/c1-10-4-2-3-5-13(10)14(27)26-15(16(19,20)21,17(22,23)24)25-12-8-6-11(18)7-9-12/h2-9,25H,1H3,(H,26,27)

InChI Key

VZYHFCLFJMMKHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00789403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.75

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.394

Distribution Coefficient, logD

-0.203

Water Solubility, LogSw

-5.92

Polar Surface Area

33.527

Acid Dissociation Constant (pKa)

1.80

Base Dissociation Constant (pKb)

-6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8018-8978 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8018-8978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8978?
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What is the minimum amount of 8018-8978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8978
  • 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 8018-8978 available by request