Y041-7087 Screening compound: 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(2-phenylmorpholin-4-yl)propan-1-one

Y041-7087 Screening compound: 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(2-phenylmorpholin-4-yl)propan-1-one
Y041-7087 Screening compound: 3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(2-phenylmorpholin-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7087
3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(2-phenylmorpholin-4-yl)propan-1-one

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

Y041-7087

Molecular Formula

C19H24N4O2 (C19 H24 N4 O2)

Compound Name

3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(2-phenylmorpholin-4-yl)propan-1-one

IUPAC name

3-[(46-dimethylpyrimidin-2-yl)amino]-1-(2-phenylmorpholin-4-yl)propan-1-one

SMILES

Cc1nc(NCCC(N2CC(c3ccccc3)OCC2)=O)nc(C)c1

InChI

InChI=1S/C19H24N4O2/c1-14-12-15(2)22-19(21-14)20-9-8-18(24)23-10-11-25-17(13-23)16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,20,21,22)/t17-/m0/s1

InChI Key

BILDRMISKPMVTI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD22585308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.628

Distribution Coefficient, logD

1.627

Water Solubility, LogSw

-2.08

Polar Surface Area

53.541

Acid Dissociation Constant (pKa)

19.42

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

Y041-7087 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-7087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7087?
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What is the minimum amount of Y041-7087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7087
  • 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 Y041-7087 available by request