E948-1058 Screening compound: 1-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]-4-(2,4-dimethylphenyl)piperazine

E948-1058 Screening compound: 1-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]-4-(2,4-dimethylphenyl)piperazine
E948-1058 Screening compound: 1-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]-4-(2,4-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E948-1058
1-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]-4-(2,4-dimethylphenyl)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

E948-1058

Molecular Formula

C25H31N5O2 (C25 H31 N5 O2)

Compound Name

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

IUPAC name

1-[26-dimethyl-4-(pyrrolidin-1-yl)furo[23-d]pyrimidine-5-carbonyl]-4-(24-dimethylphenyl)piperazine

SMILES

Cc1c(C(N(CC2)CCN2c2c(C)cc(C)cc2)=O)c2c(N3CCCC3)nc(C)nc2o1

InChI

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

InChI Key

MJQSVBKBVSDDFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930068

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

4.826

Distribution Coefficient, logD

4.826

Water Solubility, LogSw

-4.96

Polar Surface Area

49.902

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

E948-1058 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 E948-1058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E948-1058?
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What is the minimum amount of E948-1058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E948-1058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E948-1058
  • 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 E948-1058 available by request