F385-1412 Screening compound: N-(3-bromophenyl)-2-[1-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-N-methylformamido]acetamide

F385-1412 Screening compound: N-(3-bromophenyl)-2-[1-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-N-methylformamido]acetamide
F385-1412 Screening compound: N-(3-bromophenyl)-2-[1-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-N-methylformamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F385-1412
N-(3-bromophenyl)-2-[1-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-N-methylformamido]acetamide

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

F385-1412

Molecular Formula

C21H22BrN5O2 (C21 H22 BrN5 O2)

Compound Name

N-(3-bromophenyl)-2-[1-(1-cyclopentyl-1H-1,2,3-benzotriazol-5-yl)-N-methylformamido]acetamide

IUPAC name

N-(3-bromophenyl)-2-[1-(1-cyclopentyl-1H-123-benzotriazol-5-yl)-N-methylformamido]acetamide

SMILES

CN(CC(Nc1cccc(Br)c1)=O)C(c(cc1)cc2c1n(C1CCCC1)nn2)=O

InChI

InChI=1S/C21H22BrN5O2/c1-26(13-20(28)23-16-6-4-5-15(22)12-16)21(29)14-9-10-19-18(11-14)24-25-27(19)17-7-2-3-8-17/h4-6,9-12,17H,2-3,7-8,13H2,1H3,(H,23,28)

InChI Key

FCIHOPVFOVBBOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14952635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.75

Polar Surface Area

65.300

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F385-1412 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Lipid Metabolism Library (9174 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F385-1412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F385-1412?
Check Price and Availability of F385-1412, 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 F385-1412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F385-1412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F385-1412
  • 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 F385-1412 available by request