D398-0597 Screening compound: 2-(furan-2-yl)-1-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine

D398-0597 Screening compound: 2-(furan-2-yl)-1-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine
D398-0597 Screening compound: 2-(furan-2-yl)-1-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0597
2-(furan-2-yl)-1-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-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

D398-0597

Molecular Formula

C20H15F3N4O2S (C20 H15 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cnn1c(C(F)(F)F)c2)c1nc2-c1cccs1)N(CCC1)C1c1ccco1

InChI

InChI=1S/C20H15F3N4O2S/c21-20(22,23)17-10-13(16-6-3-9-30-16)25-18-12(11-24-27(17)18)19(28)26-7-1-4-14(26)15-5-2-8-29-15/h2-3,5-6,8-11,14H,1,4,7H2/t14-/m0/s1

InChI Key

VBHGVZPZVURZPH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10702996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.051

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.06

Polar Surface Area

45.201

Acid Dissociation Constant (pKa)

25.86

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D398-0597 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0597?
Check Price and Availability of D398-0597, 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 D398-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0597
  • 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 D398-0597 available by request