D233-0612 Screening compound: 5-chloro-N-[4-(piperidine-1-sulfonyl)phenyl]-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

D233-0612 Screening compound: 5-chloro-N-[4-(piperidine-1-sulfonyl)phenyl]-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide
D233-0612 Screening compound: 5-chloro-N-[4-(piperidine-1-sulfonyl)phenyl]-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0612
5-chloro-N-[4-(piperidine-1-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

D233-0612

Molecular Formula

C19H21ClN4O3S2 (C19 H21 ClN4 O3 S2)

Compound Name

5-chloro-N-[4-(piperidine-1-sulfonyl)phenyl]-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-[4-(piperidine-1-sulfonyl)phenyl]-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

SMILES

C=CCSc(nc1)nc(C(Nc(cc2)ccc2S(N2CCCCC2)(=O)=O)=O)c1Cl

InChI

InChI=1S/C19H21ClN4O3S2/c1-2-12-28-19-21-13-16(20)17(23-19)18(25)22-14-6-8-15(9-7-14)29(26,27)24-10-4-3-5-11-24/h2,6-9,13H,1,3-5,10-12H2,(H,22,25)

InChI Key

NBMVFJDPNLCGMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.99

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

4.094

Distribution Coefficient, logD

3.865

Water Solubility, LogSw

-4.27

Polar Surface Area

73.626

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with D233-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0612?
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What is the minimum amount of D233-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0612
  • 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 D233-0612 available by request