Y500-4752 Screening compound: 2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide

Y500-4752 Screening compound: 2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
Y500-4752 Screening compound: 2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-4752
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-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

Y500-4752

Molecular Formula

C12H12BrF2N5OS (C12 H12 BrF2 N5 OS)

Compound Name

2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(5-cyclopropyl-134-thiadiazol-2-yl)acetamide

SMILES

Cc(n(CC(Nc1nnc(C2CC2)s1)=O)nc1C(F)F)c1Br

InChI

InChI=1S/C12H12BrF2N5OS/c1-5-8(13)9(10(14)15)19-20(5)4-7(21)16-12-18-17-11(22-12)6-2-3-6/h6,10H,2-4H2,1H3,(H,16,18,21)

InChI Key

DWWIIGPXHSFLIE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.499

Water Solubility, LogSw

-2.74

Polar Surface Area

61.660

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with Y500-4752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-4752?
Check Price and Availability of Y500-4752, 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 Y500-4752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-4752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-4752
  • 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 Y500-4752 available by request