D577-0099 Screening compound: 1-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-(2,3-dimethylphenyl)urea

D577-0099 Screening compound: 1-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-(2,3-dimethylphenyl)urea
D577-0099 Screening compound: 1-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-(2,3-dimethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D577-0099
1-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-(2,3-dimethylphenyl)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

D577-0099

Molecular Formula

C26H32N6O (C26 H32 N6 O)

Compound Name

1-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-(2,3-dimethylphenyl)urea

IUPAC name

1-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-(23-dimethylphenyl)urea

SMILES

Cc1cccc(NC(Nc(cc2)ccc2Nc2nc(NC3CCCCC3)nc(C)c2)=O)c1C

InChI

InChI=1S/C26H32N6O/c1-17-8-7-11-23(19(17)3)31-26(33)30-22-14-12-21(13-15-22)28-24-16-18(2)27-25(32-24)29-20-9-5-4-6-10-20/h7-8,11-16,20H,4-6,9-10H2,1-3H3,(H2,30,31,33)(H2,27,28,29,32)

InChI Key

PNRHVHDFYCPDHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.852

Distribution Coefficient, logD

6.617

Water Solubility, LogSw

-5.56

Polar Surface Area

70.795

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

D577-0099 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anti-Inflammatory Library (24602 compounds)

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

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D577-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D577-0099?
Check Price and Availability of D577-0099, 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 D577-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D577-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D577-0099
  • 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 D577-0099 available by request