C066-4734 Screening compound: 3,6-dimethyl-4-oxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

C066-4734 Screening compound: 3,6-dimethyl-4-oxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide
C066-4734 Screening compound: 3,6-dimethyl-4-oxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4734
3,6-dimethyl-4-oxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}-3H,4H-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

C066-4734

Molecular Formula

C20H22N4O3 (C20 H22 N4 O3)

Compound Name

3,6-dimethyl-4-oxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

36-dimethyl-4-oxo-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}-3H4H-furo[23-d]pyrimidine-5-carboxamide

SMILES

Cc1c(C(Nc2ccc(CN3CCCC3)cc2)=O)c(C(N(C)C=N2)=O)c2o1

InChI

InChI=1S/C20H22N4O3/c1-13-16(17-19(27-13)21-12-23(2)20(17)26)18(25)22-15-7-5-14(6-8-15)11-24-9-3-4-10-24/h5-8,12H,3-4,9-11H2,1-2H3,(H,22,25)

InChI Key

VAQHTMOSUCWBIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.252

Distribution Coefficient, logD

-0.760

Water Solubility, LogSw

-2.23

Polar Surface Area

60.898

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C066-4734 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-4734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4734?
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What is the minimum amount of C066-4734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4734
  • 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 C066-4734 available by request