6049-1852 Screening compound: 5-(4-bromophenyl)-3-chloro-2-{octahydropyrrolo[1,2-a]pyrazine-2-carbonyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

6049-1852 Screening compound: 5-(4-bromophenyl)-3-chloro-2-{octahydropyrrolo[1,2-a]pyrazine-2-carbonyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
6049-1852 Screening compound: 5-(4-bromophenyl)-3-chloro-2-{octahydropyrrolo[1,2-a]pyrazine-2-carbonyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1852
5-(4-bromophenyl)-3-chloro-2-{octahydropyrrolo[1,2-a]pyrazine-2-carbonyl}-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

6049-1852

Molecular Formula

C21H18BrClF3N5O (C21 H18 BrClF3 N5 O)

Compound Name

5-(4-bromophenyl)-3-chloro-2-{octahydropyrrolo[1,2-a]pyrazine-2-carbonyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

IUPAC name

5-(4-bromophenyl)-3-chloro-2-{octahydropyrrolo[12-a]pyrazine-2-carbonyl}-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3Br)nc2c1Cl)N1CC(CCC2)N2CC1

InChI

InChI=1S/C21H18BrClF3N5O/c22-13-5-3-12(4-6-13)15-10-16(21(24,25)26)31-19(27-15)17(23)18(28-31)20(32)30-9-8-29-7-1-2-14(29)11-30/h3-6,10,14H,1-2,7-9,11H2/t14-/m0/s1

InChI Key

UMLUYGSPMDBPEQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01922641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.045

Distribution Coefficient, logD

4.967

Water Solubility, LogSw

-5.45

Polar Surface Area

39.997

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

6049-1852 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6049-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1852?
Check Price and Availability of 6049-1852, 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 6049-1852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1852
  • 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 6049-1852 available by request