D577-0045 Screening compound: 3-(2,3-dimethylphenyl)-1-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea

D577-0045 Screening compound: 3-(2,3-dimethylphenyl)-1-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea
D577-0045 Screening compound: 3-(2,3-dimethylphenyl)-1-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D577-0045
3-(2,3-dimethylphenyl)-1-(4-{[6-methyl-2-(piperidin-1-yl)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

D577-0045

Molecular Formula

C25H30N6O (C25 H30 N6 O)

Compound Name

3-(2,3-dimethylphenyl)-1-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea

IUPAC name

3-(23-dimethylphenyl)-1-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea

SMILES

Cc1cccc(NC(Nc(cc2)ccc2Nc2nc(N3CCCCC3)nc(C)c2)=O)c1C

InChI

InChI=1S/C25H30N6O/c1-17-8-7-9-22(19(17)3)29-25(32)28-21-12-10-20(11-13-21)27-23-16-18(2)26-24(30-23)31-14-5-4-6-15-31/h7-13,16H,4-6,14-15H2,1-3H3,(H,26,27,30)(H2,28,29,32)

InChI Key

NUCJAIRMRPXDDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.434

Distribution Coefficient, logD

5.814

Water Solubility, LogSw

-5.52

Polar Surface Area

62.080

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D577-0045 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D577-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D577-0045?
Check Price and Availability of D577-0045, 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 D577-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D577-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D577-0045
  • 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 D577-0045 available by request