D430-1172 Screening compound: 6-[4-(ethanesulfonyl)piperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine

D430-1172 Screening compound: 6-[4-(ethanesulfonyl)piperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
D430-1172 Screening compound: 6-[4-(ethanesulfonyl)piperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D430-1172
6-[4-(ethanesulfonyl)piperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-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

D430-1172

Molecular Formula

C18H25N5O2S (C18 H25 N5 O2 S)

Compound Name

6-[4-(ethanesulfonyl)piperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine

IUPAC name

6-[4-(ethanesulfonyl)piperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine

SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-4-26(24,25)23-11-9-22(10-12-23)18-13-17(19-15(3)20-18)21-16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3,(H,19,20,21)

InChI Key

ZBUHQXKDWDIOOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

2.466

Water Solubility, LogSw

-3.59

Polar Surface Area

62.503

Acid Dissociation Constant (pKa)

17.76

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D430-1172 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D430-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D430-1172?
Check Price and Availability of D430-1172, 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 D430-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D430-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D430-1172
  • 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 D430-1172 available by request