5137-3601 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine

5137-3601 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
5137-3601 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5137-3601
N-[2-(3,4-diethoxyphenyl)ethyl]-5,6-diphenylfuro[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

5137-3601

Molecular Formula

C30H29N3O3 (C30 H29 N3 O3)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-56-diphenylfuro[23-d]pyrimidin-4-amine

SMILES

CCOc(ccc(CCNc1c(c(-c2ccccc2)c(-c2ccccc2)o2)c2ncn1)c1)c1OCC

InChI

InChI=1S/C30H29N3O3/c1-3-34-24-16-15-21(19-25(24)35-4-2)17-18-31-29-27-26(22-11-7-5-8-12-22)28(23-13-9-6-10-14-23)36-30(27)33-20-32-29/h5-16,19-20H,3-4,17-18H2,1-2H3,(H,31,32,33)

InChI Key

UTSNAOPWQNWABI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03678258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.209

Distribution Coefficient, logD

6.207

Water Solubility, LogSw

-6.04

Polar Surface Area

53.341

Acid Dissociation Constant (pKa)

19.10

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5137-3601 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5137-3601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5137-3601?
Check Price and Availability of 5137-3601, 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 5137-3601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5137-3601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5137-3601
  • 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 5137-3601 available by request