8016-0274 Screening compound: 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl N-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]carbamate

8016-0274 Screening compound: 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl N-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]carbamate
8016-0274 Screening compound: 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl N-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0274
2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl N-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]carbamate

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

8016-0274

Molecular Formula

C16H14F4N4O6 (C16 H14 F4 N4 O6)

Compound Name

2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl N-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]carbamate

IUPAC name

2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl N-[3-(1122-tetrafluoroethoxy)benzoyl]carbamate

SMILES

Cc(n1CCOC(NC(c2cccc(OC(C(F)F)(F)F)c2)=O)=O)cnc1[N+]([O-])=O

InChI

InChI=1S/C16H14F4N4O6/c1-9-8-21-14(24(27)28)23(9)5-6-29-15(26)22-12(25)10-3-2-4-11(7-10)30-16(19,20)13(17)18/h2-4,7-8,13H,5-6H2,1H3,(H,22,25,26)

InChI Key

VWDFXFNKIYWRNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.3

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.337

Distribution Coefficient, logD

2.163

Water Solubility, LogSw

-2.88

Polar Surface Area

96.262

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8016-0274 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0274?
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What is the minimum amount of 8016-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0274
  • 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 8016-0274 available by request