D577-0154 Screening compound: 1-(4-methoxyphenyl)-3-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea

D577-0154 Screening compound: 1-(4-methoxyphenyl)-3-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea
D577-0154 Screening compound: 1-(4-methoxyphenyl)-3-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D577-0154
1-(4-methoxyphenyl)-3-(4-{[6-methyl-2-(pyrrolidin-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

D577-0154

Molecular Formula

C23H26N6O2 (C23 H26 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(Nc(cc2)ccc2NC(Nc(cc2)ccc2OC)=O)nc(N2CCCC2)n1

InChI

InChI=1S/C23H26N6O2/c1-16-15-21(28-22(24-16)29-13-3-4-14-29)25-17-5-7-18(8-6-17)26-23(30)27-19-9-11-20(31-2)12-10-19/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,25,28)(H2,26,27,30)

InChI Key

ZNBZMLBCYXJKLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.452

Distribution Coefficient, logD

5.126

Water Solubility, LogSw

-5.34

Polar Surface Area

70.688

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D577-0154 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 D577-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D577-0154?
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What is the minimum amount of D577-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D577-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D577-0154
  • 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 D577-0154 available by request