5638-0091 Screening compound: 5-(4-bromophenyl)-2-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5638-0091 Screening compound: 5-(4-bromophenyl)-2-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
5638-0091 Screening compound: 5-(4-bromophenyl)-2-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5638-0091
5-(4-bromophenyl)-2-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

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

5638-0091

Molecular Formula

C20H13BrF3N3O (C20 H13 BrF3 N3 O)

Compound Name

5-(4-bromophenyl)-2-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

IUPAC name

5-(4-bromophenyl)-2-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine

SMILES

COc(cc1)ccc1-c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3Br)nc2c1

InChI

InChI=1S/C20H13BrF3N3O/c1-28-15-8-4-13(5-9-15)17-11-19-25-16(12-2-6-14(21)7-3-12)10-18(20(22,23)24)27(19)26-17/h2-11H,1H3

InChI Key

KJXSRBIKOBPHJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.570

Distribution Coefficient, logD

6.570

Water Solubility, LogSw

-5.88

Polar Surface Area

25.670

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

5638-0091 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5638-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5638-0091?
Check Price and Availability of 5638-0091, 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 5638-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5638-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5638-0091
  • 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 5638-0091 available by request