3209-0437 Screening compound: 3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0437 Screening compound: 3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0437 Screening compound: 3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0437
3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-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

3209-0437

Molecular Formula

C26H19ClF3N5O4 (C26 H19 ClF3 N5 O4)

Compound Name

3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-phenyl-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

[O-][N+](c1cc(NC(c2nn(C(CC(c3ccccc3)N3)C(F)(F)F)c3c2Cl)=O)cc(Oc2ccccc2)c1)=O

InChI

InChI=1S/C26H19ClF3N5O4/c27-22-23(33-34-21(26(28,29)30)14-20(32-24(22)34)15-7-3-1-4-8-15)25(36)31-16-11-17(35(37)38)13-19(12-16)39-18-9-5-2-6-10-18/h1-13,20-21,32H,14H2,(H,31,36)

InChI Key

DBKXALWMUYNSQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01922438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.917

Distribution Coefficient, logD

6.909

Water Solubility, LogSw

-6.62

Polar Surface Area

89.281

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-6.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.40

3209-0437 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3209-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0437?
Check Price and Availability of 3209-0437, 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 3209-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0437
  • 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 3209-0437 available by request