D577-0141 Screening compound: 3-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-phenylurea

D577-0141 Screening compound: 3-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-phenylurea
D577-0141 Screening compound: 3-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D577-0141
3-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-phenylurea

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

D577-0141

Molecular Formula

C22H24N6O (C22 H24 N6 O)

Compound Name

3-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-phenylurea

IUPAC name

3-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-1-phenylurea

SMILES

Cc1cc(Nc(cc2)ccc2NC(Nc2ccccc2)=O)nc(N2CCCC2)n1

InChI

InChI=1S/C22H24N6O/c1-16-15-20(27-21(23-16)28-13-5-6-14-28)24-18-9-11-19(12-10-18)26-22(29)25-17-7-3-2-4-8-17/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,23,24,27)(H2,25,26,29)

InChI Key

JKRNSHOMPSHIGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD21611800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

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

5.278

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-5.14

Polar Surface Area

63.144

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D577-0141 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D577-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D577-0141?
Check Price and Availability of D577-0141, 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 D577-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D577-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D577-0141
  • 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 D577-0141 available by request