G415-4582 Screening compound: 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide

G415-4582 Screening compound: 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide
G415-4582 Screening compound: 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G415-4582
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-ethylphenyl)-4-methylpyrimidine-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

G415-4582

Molecular Formula

C22H22N4O3 (C22 H22 N4 O3)

Compound Name

2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide

IUPAC name

2-{[(2H-13-benzodioxol-5-yl)methyl]amino}-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide

SMILES

CCc(cc1)ccc1NC(c1c(C)nc(NCc(cc2)cc3c2OCO3)nc1)=O

InChI

InChI=1S/C22H22N4O3/c1-3-15-4-7-17(8-5-15)26-21(27)18-12-24-22(25-14(18)2)23-11-16-6-9-19-20(10-16)29-13-28-19/h4-10,12H,3,11,13H2,1-2H3,(H,26,27)(H,23,24,25)

InChI Key

QYTHJIUXSNJTTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15011301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-3.89

Polar Surface Area

71.484

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G415-4582 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G415-4582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G415-4582?
Check Price and Availability of G415-4582, 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 G415-4582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G415-4582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G415-4582
  • 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 G415-4582 available by request