Y200-2148 Screening compound: 1-[5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane

Y200-2148 Screening compound: 1-[5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane
Y200-2148 Screening compound: 1-[5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-2148
1-[5-(5-ethylthiophen-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

Y200-2148

Molecular Formula

C20H21F3N4OS (C20 H21 F3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(-c2nc3cc(C(N4CCCCCC4)=O)nn3c(C(F)(F)F)c2)s1

InChI

InChI=1S/C20H21F3N4OS/c1-2-13-7-8-16(29-13)14-11-17(20(21,22)23)27-18(24-14)12-15(25-27)19(28)26-9-5-3-4-6-10-26/h7-8,11-12H,2-6,9-10H2,1H3

InChI Key

BUJIPHJUYNHEGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03467904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.393

Distribution Coefficient, logD

5.393

Water Solubility, LogSw

-5.23

Polar Surface Area

36.395

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

Y200-2148 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 Y200-2148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-2148?
Check Price and Availability of Y200-2148, 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 Y200-2148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-2148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-2148
  • 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 Y200-2148 available by request