D398-0586 Screening compound: 1-{6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl}-2-(furan-2-yl)pyrrolidine
Chemical Structure Depiction of ChemDiv screening compound D398-0586
1-{6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl}-2-(furan-2-yl)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
D398-0586
Molecular Formula
C15H13BrN4O2 (C15 H13 BrN4 O2)
Compound Name
1-{6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl}-2-(furan-2-yl)pyrrolidine
IUPAC name
1-{6-bromopyrazolo[15-a]pyrimidine-3-carbonyl}-2-(furan-2-yl)pyrrolidine
SMILES
O=C(c1c2ncc(Br)cn2nc1)N(CCC1)C1c1ccco1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
361.2
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.974
Distribution Coefficient, logD
1.974
Water Solubility, LogSw
-2.24
Polar Surface Area
46.241
Acid Dissociation Constant (pKa)
25.86
Base Dissociation Constant (pKb)
0.85
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
26.70
D398-0586 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Cancer
- PPI modulators
- Agro
References: we are preparing a list of scientific research reports with D398-0586 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of D398-0586, 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.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)