G851-0681 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)formamido]propanamide

G851-0681 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)formamido]propanamide
G851-0681 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)formamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0681
N-(4-bromo-2-fluorophenyl)-3-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)formamido]propanamide

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

G851-0681

Molecular Formula

C19H19BrFN5O2 (C19 H19 BrFN5 O2)

Compound Name

N-(4-bromo-2-fluorophenyl)-3-[(1-propyl-1H-1,2,3-benzotriazol-5-yl)formamido]propanamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-3-[(1-propyl-1H-123-benzotriazol-5-yl)formamido]propanamide

SMILES

CCCn1nnc2c1ccc(C(NCCC(Nc(ccc(Br)c1)c1F)=O)=O)c2

InChI

InChI=1S/C19H19BrFN5O2/c1-2-9-26-17-6-3-12(10-16(17)24-25-26)19(28)22-8-7-18(27)23-15-5-4-13(20)11-14(15)21/h3-6,10-11H,2,7-9H2,1H3,(H,22,28)(H,23,27)

InChI Key

QUIGUGVPVNWNOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.655

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-3.11

Polar Surface Area

72.621

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G851-0681 in Drug Discovery

Included in Screening Libraries

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

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G851-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0681?
Check Price and Availability of G851-0681, 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 G851-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0681
  • 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 G851-0681 available by request