8013-4036 Screening compound: 1-(adamantan-1-yl)-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

8013-4036 Screening compound: 1-(adamantan-1-yl)-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine
8013-4036 Screening compound: 1-(adamantan-1-yl)-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4036
1-(adamantan-1-yl)-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

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

8013-4036

Molecular Formula

C26H27ClF3N5O2 (C26 H27 ClF3 N5 O2)

Compound Name

1-(adamantan-1-yl)-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

IUPAC name

1-(adamantan-1-yl)-4-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]piperazine

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl)N(CC1)CCN1C1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C26H27ClF3N5O2/c27-21-22(32-35-20(26(28,29)30)11-18(31-23(21)35)19-2-1-7-37-19)24(36)33-3-5-34(6-4-33)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-2,7,11,15-17H,3-6,8-10,12-14H2

InChI Key

JOTRDKSLKYGTNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.533

Distribution Coefficient, logD

5.493

Water Solubility, LogSw

-6.02

Polar Surface Area

47.893

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.70

8013-4036 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-4036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4036?
Check Price and Availability of 8013-4036, 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 8013-4036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4036
  • 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 8013-4036 available by request