E948-0983 Screening compound: 4-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine

E948-0983 Screening compound: 4-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine
E948-0983 Screening compound: 4-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E948-0983
4-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine

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

E948-0983

Molecular Formula

C25H31N5O2 (C25 H31 N5 O2)

Compound Name

4-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine

IUPAC name

4-[26-dimethyl-4-(pyrrolidin-1-yl)furo[23-d]pyrimidine-5-carbonyl]-2-methyl-1-(3-methylphenyl)piperazine

SMILES

CC(CN(CC1)C(c2c(C)oc3nc(C)nc(N4CCCC4)c23)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C25H31N5O2/c1-16-8-7-9-20(14-16)30-13-12-29(15-17(30)2)25(31)21-18(3)32-24-22(21)23(26-19(4)27-24)28-10-5-6-11-28/h7-9,14,17H,5-6,10-13,15H2,1-4H3/t17-/m0/s1

InChI Key

ACRZMWYPAHJVAS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14930057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.65

Polar Surface Area

49.421

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

E948-0983 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E948-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E948-0983?
Check Price and Availability of E948-0983, 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 E948-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E948-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E948-0983
  • 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 E948-0983 available by request