7213-0734 Screening compound: propan-2-yl 4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzoate

7213-0734 Screening compound: propan-2-yl 4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzoate
7213-0734 Screening compound: propan-2-yl 4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0734
propan-2-yl 4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzoate

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

7213-0734

Molecular Formula

C25H22F2N4O4 (C25 H22 F2 N4 O4)

Compound Name

propan-2-yl 4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzoate

IUPAC name

propan-2-yl 4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[15-a]pyrimidine-3-amido]benzoate

SMILES

CC(C)OC(c(cc1)ccc1NC(c(cnn1c(C(F)F)c2)c1nc2-c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C25H22F2N4O4/c1-14(2)35-25(33)16-4-8-17(9-5-16)29-24(32)19-13-28-31-21(22(26)27)12-20(30-23(19)31)15-6-10-18(34-3)11-7-15/h4-14,22H,1-3H3,(H,29,32)

InChI Key

YZXQPETUIDZYLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02608343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.936

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-4.54

Polar Surface Area

70.235

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7213-0734 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 7213-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0734?
Check Price and Availability of 7213-0734, 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 7213-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0734
  • 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 7213-0734 available by request