E948-0981 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]piperazine

E948-0981 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]piperazine
E948-0981 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E948-0981
1-(5-chloro-2-methylphenyl)-4-[2,6-dimethyl-4-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carbonyl]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

E948-0981

Molecular Formula

C24H28ClN5O2 (C24 H28 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N(CC2)CCN2c2c(C)ccc(Cl)c2)=O)c2c(N3CCCC3)nc(C)nc2o1

InChI

InChI=1S/C24H28ClN5O2/c1-15-6-7-18(25)14-19(15)28-10-12-30(13-11-28)24(31)20-16(2)32-23-21(20)22(26-17(3)27-23)29-8-4-5-9-29/h6-7,14H,4-5,8-13H2,1-3H3

InChI Key

INYWUJAQXTWLAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.97

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

4.771

Distribution Coefficient, logD

4.771

Water Solubility, LogSw

-5.08

Polar Surface Area

49.902

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

E948-0981 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E948-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E948-0981?
Check Price and Availability of E948-0981, 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 E948-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E948-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E948-0981
  • 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 E948-0981 available by request