P991-0530 Screening compound: 1-[1-(2-bromobenzoyl)azetidin-3-yl]-4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole

P991-0530 Screening compound: 1-[1-(2-bromobenzoyl)azetidin-3-yl]-4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole
P991-0530 Screening compound: 1-[1-(2-bromobenzoyl)azetidin-3-yl]-4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P991-0530
1-[1-(2-bromobenzoyl)azetidin-3-yl]-4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole

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

P991-0530

Molecular Formula

C19H16BrFN4O2 (C19 H16 BrFN4 O2)

Compound Name

1-[1-(2-bromobenzoyl)azetidin-3-yl]-4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole

IUPAC name

1-[1-(2-bromobenzoyl)azetidin-3-yl]-4-[(4-fluorophenoxy)methyl]-1H-123-triazole

SMILES

O=C(c(cccc1)c1Br)N(C1)CC1n1nnc(COc(cc2)ccc2F)c1

InChI

InChI=1S/C19H16BrFN4O2/c20-18-4-2-1-3-17(18)19(26)24-10-15(11-24)25-9-14(22-23-25)12-27-16-7-5-13(21)6-8-16/h1-9,15H,10-12H2

InChI Key

XBPISBNHADEJHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-2.94

Polar Surface Area

50.814

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P991-0530 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P991-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P991-0530?
Check Price and Availability of P991-0530, 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 P991-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P991-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P991-0530
  • 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 P991-0530 available by request