8012-3327 Screening compound: N-(5-bromo-2-cyclopropanecarbonyl-1-benzofuran-3-yl)-4-(trifluoromethyl)benzamide

8012-3327 Screening compound: N-(5-bromo-2-cyclopropanecarbonyl-1-benzofuran-3-yl)-4-(trifluoromethyl)benzamide
8012-3327 Screening compound: N-(5-bromo-2-cyclopropanecarbonyl-1-benzofuran-3-yl)-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3327
N-(5-bromo-2-cyclopropanecarbonyl-1-benzofuran-3-yl)-4-(trifluoromethyl)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

8012-3327

Molecular Formula

C20H13BrF3NO3 (C20 H13 BrF3 NO3)

Compound Name

N-(5-bromo-2-cyclopropanecarbonyl-1-benzofuran-3-yl)-4-(trifluoromethyl)benzamide

IUPAC name

N-(5-bromo-2-cyclopropanecarbonyl-1-benzofuran-3-yl)-4-(trifluoromethyl)benzamide

SMILES

O=C(C1CC1)c(oc(cc1)c2cc1Br)c2NC(c1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C20H13BrF3NO3/c21-13-7-8-15-14(9-13)16(18(28-15)17(26)10-1-2-10)25-19(27)11-3-5-12(6-4-11)20(22,23)24/h3-10H,1-2H2,(H,25,27)

InChI Key

YPJUYTOFPZOORK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02934726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.172

Distribution Coefficient, logD

4.527

Water Solubility, LogSw

-5.61

Polar Surface Area

44.450

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8012-3327 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-3327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3327?
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What is the minimum amount of 8012-3327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3327
  • 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 8012-3327 available by request