D398-0128 Screening compound: 2-(4-chlorophenyl)-1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

D398-0128 Screening compound: 2-(4-chlorophenyl)-1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine
D398-0128 Screening compound: 2-(4-chlorophenyl)-1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0128
2-(4-chlorophenyl)-1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

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

D398-0128

Molecular Formula

C21H18ClF3N4O (C21 H18 ClF3 N4 O)

Compound Name

2-(4-chlorophenyl)-1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

IUPAC name

2-(4-chlorophenyl)-1-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]pyrrolidine

SMILES

O=C(c1nn2c(C(F)(F)F)cc(C3CC3)nc2c1)N(CCC1)C1c(cc1)ccc1Cl

InChI

InChI=1S/C21H18ClF3N4O/c22-14-7-5-13(6-8-14)17-2-1-9-28(17)20(30)16-11-19-26-15(12-3-4-12)10-18(21(23,24)25)29(19)27-16/h5-8,10-12,17H,1-4,9H2/t17-/m0/s1

InChI Key

PFOMENNTIJCZKZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27583272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.85

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

4.891

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-5.28

Polar Surface Area

35.357

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D398-0128 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0128?
Check Price and Availability of D398-0128, 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 D398-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0128
  • 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 D398-0128 available by request