5638-0181 Screening compound: ethyl 3-(3-bromophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

5638-0181 Screening compound: ethyl 3-(3-bromophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
5638-0181 Screening compound: ethyl 3-(3-bromophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5638-0181
ethyl 3-(3-bromophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-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

5638-0181

Molecular Formula

C21H16BrN3O2 (C21 H16 BrN3 O2)

Compound Name

ethyl 3-(3-bromophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 3-(3-bromophenyl)-7-phenylpyrazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)n2ncc(-c3cccc(Br)c3)c2nc1)=O

InChI

InChI=1S/C21H16BrN3O2/c1-2-27-21(26)18-12-23-20-17(15-9-6-10-16(22)11-15)13-24-25(20)19(18)14-7-4-3-5-8-14/h3-13H,2H2,1H3

InChI Key

VRCXJLRVZAUZTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.227

Distribution Coefficient, logD

5.227

Water Solubility, LogSw

-4.99

Polar Surface Area

39.948

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

5638-0181 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5638-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5638-0181?
Check Price and Availability of 5638-0181, 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 5638-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5638-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5638-0181
  • 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 5638-0181 available by request