4170-0810 Screening compound: 1-(1-benzofuran-3-carbonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

4170-0810 Screening compound: 1-(1-benzofuran-3-carbonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
4170-0810 Screening compound: 1-(1-benzofuran-3-carbonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4170-0810
1-(1-benzofuran-3-carbonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

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

4170-0810

Molecular Formula

C20H16F3N3O4 (C20 H16 F3 N3 O4)

Compound Name

1-(1-benzofuran-3-carbonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-(1-benzofuran-3-carbonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

SMILES

[O-][N+](c(cc(C(F)(F)F)cc1)c1N(CC1)CCN1C(c1coc2c1cccc2)=O)=O

InChI

InChI=1S/C20H16F3N3O4/c21-20(22,23)13-5-6-16(17(11-13)26(28)29)24-7-9-25(10-8-24)19(27)15-12-30-18-4-2-1-3-14(15)18/h1-6,11-12H,7-10H2

InChI Key

PZCDFARTEJFGOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03134877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.36

Polar Surface Area

62.486

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4170-0810 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4170-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4170-0810?
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What is the minimum amount of 4170-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4170-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4170-0810
  • 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 4170-0810 available by request