Y508-4331 Screening compound: 5-(4-bromophenyl)-N~3~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~3~-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Y508-4331 Screening compound: 5-(4-bromophenyl)-N~3~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~3~-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Y508-4331 Screening compound: 5-(4-bromophenyl)-N~3~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~3~-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-4331
5-(4-bromophenyl)-N~3~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~3~-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

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

Y508-4331

Molecular Formula

C21H22BrF3N6O (C21 H22 BrF3 N6 O)

Compound Name

5-(4-bromophenyl)-N~3~-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N~3~-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

n/a

SMILES

Cc1nn(C)cc1CN(C)C(c1c(NC(CC2C(F)(F)F)c(cc3)ccc3Br)n2nc1)=O

InChI

InChI=1S/C21H22BrF3N6O/c1-12-14(11-30(3)28-12)10-29(2)20(32)16-9-26-31-18(21(23,24)25)8-17(27-19(16)31)13-4-6-15(22)7-5-13/h4-7,9,11,17-18,27H,8,10H2,1-3H3

InChI Key

LAICOPJNOCETOK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

3.446

Water Solubility, LogSw

-3.57

Polar Surface Area

56.826

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with Y508-4331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-4331?
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What is the minimum amount of Y508-4331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-4331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-4331
  • 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 Y508-4331 available by request