Y200-1028 Screening compound: N-{4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-(thiophen-2-yl)acetamide

Y200-1028 Screening compound: N-{4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-(thiophen-2-yl)acetamide
Y200-1028 Screening compound: N-{4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-(thiophen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-1028
N-{4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-(thiophen-2-yl)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

Y200-1028

Molecular Formula

C16H12BrClFN3OS (C16 H12 BrClFN3 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc1cccs1)Nc1nn(Cc(c(F)ccc2)c2Cl)cc1Br

InChI

InChI=1S/C16H12BrClFN3OS/c17-12-9-22(8-11-13(18)4-1-5-14(11)19)21-16(12)20-15(23)7-10-3-2-6-24-10/h1-6,9H,7-8H2,(H,20,21,23)

InChI Key

IKUOKOIORFMIGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07183101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.71

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.596

Water Solubility, LogSw

-3.85

Polar Surface Area

39.056

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y200-1028 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y200-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-1028?
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What is the minimum amount of Y200-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-1028
  • 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 Y200-1028 available by request