4072-2727 Screening compound: N-benzyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine

4072-2727 Screening compound: N-benzyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
4072-2727 Screening compound: N-benzyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2727
N-benzyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine

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

4072-2727

Molecular Formula

C27H23N3O3 (C27 H23 N3 O3)

Compound Name

N-benzyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine

IUPAC name

N-benzyl-56-bis(4-methoxyphenyl)furo[23-d]pyrimidin-4-amine

SMILES

COc(cc1)ccc1-c1c(-c(cc2)ccc2OC)oc2ncnc(NCc3ccccc3)c12

InChI

InChI=1S/C27H23N3O3/c1-31-21-12-8-19(9-13-21)23-24-26(28-16-18-6-4-3-5-7-18)29-17-30-27(24)33-25(23)20-10-14-22(32-2)15-11-20/h3-15,17H,16H2,1-2H3,(H,28,29,30)

InChI Key

GNXIJUDVJVHOCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02996331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.019

Distribution Coefficient, logD

6.016

Water Solubility, LogSw

-6.14

Polar Surface Area

54.166

Acid Dissociation Constant (pKa)

17.73

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4072-2727 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4072-2727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2727?
Check Price and Availability of 4072-2727, 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 4072-2727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2727
  • 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 4072-2727 available by request