D233-0614 Screening compound: 5-chloro-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

D233-0614 Screening compound: 5-chloro-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide
D233-0614 Screening compound: 5-chloro-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0614
5-chloro-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

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

D233-0614

Molecular Formula

C20H23ClN4O3S2 (C20 H23 ClN4 O3 S2)

Compound Name

5-chloro-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

SMILES

CC(CC1)CCN1S(c(cc1)ccc1NC(c(nc(nc1)SCC=C)c1Cl)=O)(=O)=O

InChI

InChI=1S/C20H23ClN4O3S2/c1-3-12-29-20-22-13-17(21)18(24-20)19(26)23-15-4-6-16(7-5-15)30(27,28)25-10-8-14(2)9-11-25/h3-7,13-14H,1,8-12H2,2H3,(H,23,26)

InChI Key

WXEBTUZFMVKGMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.43

Polar Surface Area

73.626

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with D233-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0614?
Check Price and Availability of D233-0614, 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 D233-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0614
  • 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 D233-0614 available by request