D430-2348 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

D430-2348 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea
D430-2348 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D430-2348
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

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

D430-2348

Molecular Formula

C27H26N6O3 (C27 H26 N6 O3)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

IUPAC name

3-(23-dihydro-14-benzodioxin-6-yl)-1-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

SMILES

Cc(cc1)ccc1Nc1cc(Nc(cc2)ccc2NC(Nc(cc2)cc3c2OCCO3)=O)nc(C)n1

InChI

InChI=1S/C27H26N6O3/c1-17-3-5-19(6-4-17)30-25-16-26(29-18(2)28-25)31-20-7-9-21(10-8-20)32-27(34)33-22-11-12-23-24(15-22)36-14-13-35-23/h3-12,15-16H,13-14H2,1-2H3,(H2,32,33,34)(H2,28,29,30,31)

InChI Key

QGPGXIKBRDBVHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.289

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-5.27

Polar Surface Area

85.508

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

D430-2348 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D430-2348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D430-2348?
Check Price and Availability of D430-2348, 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 D430-2348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D430-2348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D430-2348
  • 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 D430-2348 available by request