8013-7698 Screening compound: 2,4-dichloro-N~1~-[1-{[1-[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-4,6-dimethyl-2(1H)-pyridinyliden]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzamide

8013-7698 Screening compound: 2,4-dichloro-N~1~-[1-{[1-[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-4,6-dimethyl-2(1H)-pyridinyliden]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzamide
8013-7698 Screening compound: 2,4-dichloro-N~1~-[1-{[1-[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-4,6-dimethyl-2(1H)-pyridinyliden]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7698
2,4-dichloro-N~1~-[1-{[1-[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-4,6-dimethyl-2(1H)-pyridinyliden]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzamide

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

8013-7698

Molecular Formula

C27H16Cl4F12N4O2 (C27 H16 Cl4 F12 N4 O2)

Compound Name

2,4-dichloro-N~1~-[1-{[1-[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-4,6-dimethyl-2(1H)-pyridinyliden]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzamide

IUPAC name

24-dichloro-N-(2-{[(2E)-1-{2-[(24-dichlorophenyl)formamido]-111333-hexafluoropropan-2-yl}-46-dimethyl-12-dihydropyridin-2-ylidene]amino}-111333-hexafluoropropan-2-yl)benzamide

SMILES

CC(C=C(C)N1C(C(F)(F)F)(C(F)(F)F)NC(c(ccc(Cl)c2)c2Cl)=O)=C/C1=N\C(C(F)(F)F)(C(F)(F)F)NC(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C27H16Cl4F12N4O2/c1-11-7-12(2)47(23(26(38,39)40,27(41,42)43)46-21(49)16-6-4-14(29)10-18(16)31)19(8-11)44-22(24(32,33)34,25(35,36)37)45-20(48)15-5-3-13(28)9-17(15)30/h3-10H,1-2H3,(H,45,48)(H,46,49)

InChI Key

SIMMTSCQMAAUAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

798.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.576

Distribution Coefficient, logD

1.066

Water Solubility, LogSw

-6.70

Polar Surface Area

57.119

Acid Dissociation Constant (pKa)

-0.89

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.63

References: we are preparing a list of scientific research reports with 8013-7698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7698?
Check Price and Availability of 8013-7698, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8013-7698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7698
  • 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 8013-7698 available by request