2774-1893 Screening compound: 1-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane

2774-1893 Screening compound: 1-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane
2774-1893 Screening compound: 1-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 2774-1893
1-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane

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

2774-1893

Molecular Formula

C18H16ClF3N4O2 (C18 H16 ClF3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl)N1CCCCCC1

InChI

InChI=1S/C18H16ClF3N4O2/c19-14-15(17(27)25-7-3-1-2-4-8-25)24-26-13(18(20,21)22)10-11(23-16(14)26)12-6-5-9-28-12/h5-6,9-10H,1-4,7-8H2

InChI Key

ALEMYNNCONMUKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01528755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.8

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

4.137

Distribution Coefficient, logD

4.137

Water Solubility, LogSw

-4.63

Polar Surface Area

45.272

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

2774-1893 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2774-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2774-1893?
Check Price and Availability of 2774-1893, 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 2774-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2774-1893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2774-1893
  • 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 2774-1893 available by request