7213-0756 Screening compound: methyl 1-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1H-indole-3-carboxylate

7213-0756 Screening compound: methyl 1-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1H-indole-3-carboxylate
7213-0756 Screening compound: methyl 1-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0756
methyl 1-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1H-indole-3-carboxylate

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

7213-0756

Molecular Formula

C25H18F2N4O4 (C25 H18 F2 N4 O4)

Compound Name

methyl 1-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1H-indole-3-carboxylate

IUPAC name

methyl 1-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[15-a]pyrimidine-3-carbonyl]-1H-indole-3-carboxylate

SMILES

COC(c1cn(C(c(cnn2c(C(F)F)c3)c2nc3-c(cc2)ccc2OC)=O)c2c1cccc2)=O

InChI

InChI=1S/C25H18F2N4O4/c1-34-15-9-7-14(8-10-15)19-11-21(22(26)27)31-23(29-19)17(12-28-31)24(32)30-13-18(25(33)35-2)16-5-3-4-6-20(16)30/h3-13,22H,1-2H3

InChI Key

BQAMRQIYPDLYCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02608267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.530

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.30

Polar Surface Area

63.272

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

7213-0756 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 7213-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0756?
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What is the minimum amount of 7213-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0756
  • 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 7213-0756 available by request