5282-1101 Screening compound: 1-(SEC-BUTYL)-N3-(2-FURYLMETHYL)-2-IMINO-8-METHYL-5-OXO-1

5282-1101 Screening compound: 1-(SEC-BUTYL)-N3-(2-FURYLMETHYL)-2-IMINO-8-METHYL-5-OXO-1
5282-1101 Screening compound: 1-(SEC-BUTYL)-N3-(2-FURYLMETHYL)-2-IMINO-8-METHYL-5-OXO-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound 5282-1101
1-(SEC-BUTYL)-N3-(2-FURYLMETHYL)-2-IMINO-8-METHYL-5-OXO-1

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

5282-1101

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

1-(SEC-BUTYL)-N3-(2-FURYLMETHYL)-2-IMINO-8-METHYL-5-OXO-1

IUPAC name

n/a

SMILES

CCC(C)N(C(C(C(NCc1ccco1)=O)=C1)=N)C(N=C2N3C=C(C)C=C2)=C1C3=O

InChI

InChI=1S/C22H23N5O3/c1-4-14(3)27-19(23)16(21(28)24-11-15-6-5-9-30-15)10-17-20(27)25-18-8-7-13(2)12-26(18)22(17)29/h5-10,12,14,23H,4,11H2,1-3H3,(H,24,28)/t14-/m0/s1

InChI Key

RRIIJPSQOUXHFG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03510411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.333

Distribution Coefficient, logD

2.203

Water Solubility, LogSw

-2.62

Polar Surface Area

76.527

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

5282-1101 in Drug Discovery

Included in Screening Libraries

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 5282-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-1101?
Check Price and Availability of 5282-1101, 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 5282-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-1101
  • 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 5282-1101 available by request