D233-0453 Screening compound: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide

D233-0453 Screening compound: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide
D233-0453 Screening compound: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0453
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methanesulfonyl]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

D233-0453

Molecular Formula

C22H21ClFN3O5S (C22 H21 ClFN3 O5 S)

Compound Name

5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-[2-(34-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide

SMILES

COc(ccc(CCNC(c(nc(nc1)S(Cc(cccc2)c2F)(=O)=O)c1Cl)=O)c1)c1OC

InChI

InChI=1S/C22H21ClFN3O5S/c1-31-18-8-7-14(11-19(18)32-2)9-10-25-21(28)20-16(23)12-26-22(27-20)33(29,30)13-15-5-3-4-6-17(15)24/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,28)

InChI Key

LHPSHGJGWQTYFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.937

Water Solubility, LogSw

-3.46

Polar Surface Area

87.932

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D233-0453 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D233-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0453?
Check Price and Availability of D233-0453, 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 D233-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0453
  • 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 D233-0453 available by request