C200-7753 Screening compound: ethyl N-{4-(aminocarbonyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-5-yl}iminoformate

C200-7753 Screening compound: ethyl N-{4-(aminocarbonyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-5-yl}iminoformate
C200-7753 Screening compound: ethyl N-{4-(aminocarbonyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-5-yl}iminoformate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7753
ethyl N-{4-(aminocarbonyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-5-yl}iminoformate

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

C200-7753

Molecular Formula

C14H14F3N5O2 (C14 H14 F3 N5 O2)

Compound Name

ethyl N-{4-(aminocarbonyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-5-yl}iminoformate

IUPAC name

(E)-(ethyl N-(4-carbamoyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-123-triazol-5-yl)carboximidate)

SMILES

CCO/C=N/c1c(C(N)=O)nnn1Cc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C14H14F3N5O2/c1-2-24-8-19-13-11(12(18)23)20-21-22(13)7-9-4-3-5-10(6-9)14(15,16)17/h3-6,8H,2,7H2,1H3,(H2,18,23)

InChI Key

LJPHBVGLHJTIFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.337

Distribution Coefficient, logD

1.337

Water Solubility, LogSw

-1.90

Polar Surface Area

78.526

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with C200-7753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7753?
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What is the minimum amount of C200-7753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7753
  • 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 C200-7753 available by request