D629-0187 Screening compound: 2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one

D629-0187 Screening compound: 2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
D629-0187 Screening compound: 2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D629-0187
2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-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

D629-0187

Molecular Formula

C21H23N5O2S (C21 H23 N5 O2 S)

Compound Name

2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one

IUPAC name

2-{2-[(4-methylphenoxy)methyl]-13-thiazol-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one

SMILES

Cc(cc1)ccc1OCc1nc(CC(N(CC2)CCN2c2ncccn2)=O)cs1

InChI

InChI=1S/C21H23N5O2S/c1-16-3-5-18(6-4-16)28-14-19-24-17(15-29-19)13-20(27)25-9-11-26(12-10-25)21-22-7-2-8-23-21/h2-8,15H,9-14H2,1H3

InChI Key

KVLVQVLRSIISCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11773579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.49

Polar Surface Area

56.206

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D629-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D629-0187?
Check Price and Availability of D629-0187, 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 D629-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D629-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D629-0187
  • 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 D629-0187 available by request