Y200-5643 Screening compound: N-[4-bromo-1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]tetrahydro-2-furancarboxamide

Y200-5643 Screening compound: N-[4-bromo-1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]tetrahydro-2-furancarboxamide
Y200-5643 Screening compound: N-[4-bromo-1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]tetrahydro-2-furancarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5643
N-[4-bromo-1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]tetrahydro-2-furancarboxamide

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

Y200-5643

Molecular Formula

C15H14BrClFN3O2 (C15 H14 BrClFN3 O2)

Compound Name

N-[4-bromo-1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]tetrahydro-2-furancarboxamide

IUPAC name

N-{4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}oxolane-2-carboxamide

SMILES

O=C(C1OCCC1)Nc1nn(Cc(c(F)ccc2)c2Cl)cc1Br

InChI

InChI=1S/C15H14BrClFN3O2/c16-10-8-21(7-9-11(17)3-1-4-12(9)18)20-14(10)19-15(22)13-5-2-6-23-13/h1,3-4,8,13H,2,5-7H2,(H,19,20,22)/t13-/m0/s1

InChI Key

KWGPQUUYQPVPDJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06004057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.823

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-3.45

Polar Surface Area

46.663

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y200-5643 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y200-5643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5643?
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What is the minimum amount of Y200-5643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5643
  • 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 Y200-5643 available by request