E948-0030 Screening compound: N-benzyl-N,6-dimethyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide

E948-0030 Screening compound: N-benzyl-N,6-dimethyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide
E948-0030 Screening compound: N-benzyl-N,6-dimethyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E948-0030
N-benzyl-N,6-dimethyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide

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

E948-0030

Molecular Formula

C21H24N4O2 (C21 H24 N4 O2)

Compound Name

N-benzyl-N,6-dimethyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-benzyl-N6-dimethyl-4-(piperidin-1-yl)furo[23-d]pyrimidine-5-carboxamide

SMILES

Cc1c(C(N(C)Cc2ccccc2)=O)c2c(N3CCCCC3)ncnc2o1

InChI

InChI=1S/C21H24N4O2/c1-15-17(21(26)24(2)13-16-9-5-3-6-10-16)18-19(22-14-23-20(18)27-15)25-11-7-4-8-12-25/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3

InChI Key

WLXRIAZMWDGMIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

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

3.711

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-4.20

Polar Surface Area

47.705

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E948-0030 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E948-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E948-0030?
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What is the minimum amount of E948-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E948-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E948-0030
  • 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 E948-0030 available by request