D233-0719 Screening compound: 5-chloro-N~4~-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-fluorobenzyl)sulfanyl]-4-pyrimidinecarboxamide

D233-0719 Screening compound: 5-chloro-N~4~-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-fluorobenzyl)sulfanyl]-4-pyrimidinecarboxamide
D233-0719 Screening compound: 5-chloro-N~4~-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-fluorobenzyl)sulfanyl]-4-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0719
5-chloro-N~4~-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-fluorobenzyl)sulfanyl]-4-pyrimidinecarboxamide

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

D233-0719

Molecular Formula

C21H16ClFN4O2S2 (C21 H16 ClFN4 O2 S2)

Compound Name

5-chloro-N~4~-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-fluorobenzyl)sulfanyl]-4-pyrimidinecarboxamide

IUPAC name

5-chloro-N-(6-ethoxy-13-benzothiazol-2-yl)-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carboxamide

SMILES

CCOc(cc1)cc2c1nc(NC(c(nc(nc1)SCc(cccc3)c3F)c1Cl)=O)s2

InChI

InChI=1S/C21H16ClFN4O2S2/c1-2-29-13-7-8-16-17(9-13)31-21(25-16)27-19(28)18-14(22)10-24-20(26-18)30-11-12-5-3-4-6-15(12)23/h3-10H,2,11H2,1H3,(H,25,27,28)

InChI Key

QWCYYKGQVHQRCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.422

Distribution Coefficient, logD

6.408

Water Solubility, LogSw

-6.14

Polar Surface Area

58.528

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

D233-0719 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D233-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0719?
Check Price and Availability of D233-0719, 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 D233-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0719
  • 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 D233-0719 available by request