D575-0068 Screening compound: N-(4-{4-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]PIPERAZINO}-6-METHYL-2-PYRIMIDINYL)-N-(4-METHYLPHENYL)AMINE

D575-0068 Screening compound: N-(4-{4-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]PIPERAZINO}-6-METHYL-2-PYRIMIDINYL)-N-(4-METHYLPHENYL)AMINE
D575-0068 Screening compound: N-(4-{4-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]PIPERAZINO}-6-METHYL-2-PYRIMIDINYL)-N-(4-METHYLPHENYL)AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound D575-0068
N-(4-{4-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]PIPERAZINO}-6-METHYL-2-PYRIMIDINYL)-N-(4-METHYLPHENYL)AMINE

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

D575-0068

Molecular Formula

C21H26N6O3S (C21 H26 N6 O3 S)

Compound Name

N-(4-{4-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]PIPERAZINO}-6-METHYL-2-PYRIMIDINYL)-N-(4-METHYLPHENYL)AMINE

IUPAC name

4-{4-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]piperazin-1-yl}-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine

SMILES

Cc1noc(C)c1S(N(CC1)CCN1c1nc(Nc2ccc(C)cc2)nc(C)c1)(=O)=O

InChI

InChI=1S/C21H26N6O3S/c1-14-5-7-18(8-6-14)23-21-22-15(2)13-19(24-21)26-9-11-27(12-10-26)31(28,29)20-16(3)25-30-17(20)4/h5-8,13H,9-12H2,1-4H3,(H,22,23,24)

InChI Key

PLJRSXULXCRREU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.579

Water Solubility, LogSw

-3.75

Polar Surface Area

85.136

Acid Dissociation Constant (pKa)

18.25

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D575-0068 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D575-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D575-0068?
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What is the minimum amount of D575-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D575-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D575-0068
  • 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 D575-0068 available by request