7610-3533 Screening compound: N-{1-[4-(butan-2-yl)phenyl]ethyl}-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7610-3533 Screening compound: N-{1-[4-(butan-2-yl)phenyl]ethyl}-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
7610-3533 Screening compound: N-{1-[4-(butan-2-yl)phenyl]ethyl}-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7610-3533
N-{1-[4-(butan-2-yl)phenyl]ethyl}-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[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

7610-3533

Molecular Formula

C27H28F2N4O2 (C27 H28 F2 N4 O2)

Compound Name

N-{1-[4-(butan-2-yl)phenyl]ethyl}-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-{1-[4-(butan-2-yl)phenyl]ethyl}-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

CCC(C)c1ccc(C(C)NC(c(cnn2c(C(F)F)c3)c2nc3-c(cc2)ccc2OC)=O)cc1

InChI

InChI=1S/C27H28F2N4O2/c1-5-16(2)18-6-8-19(9-7-18)17(3)31-27(34)22-15-30-33-24(25(28)29)14-23(32-26(22)33)20-10-12-21(35-4)13-11-20/h6-17,25H,5H2,1-4H3,(H,31,34)

InChI Key

GPJZDTRFQPVSKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02373799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.397

Distribution Coefficient, logD

6.397

Water Solubility, LogSw

-5.61

Polar Surface Area

50.288

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

-6.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

7610-3533 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 7610-3533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7610-3533?
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What is the minimum amount of 7610-3533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7610-3533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7610-3533
  • 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 7610-3533 available by request