C200-3317 Screening compound: 2-[5-(2-CHLORO-4-FLUOROBENZYL)-1

C200-3317 Screening compound: 2-[5-(2-CHLORO-4-FLUOROBENZYL)-1
C200-3317 Screening compound: 2-[5-(2-CHLORO-4-FLUOROBENZYL)-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3317
2-[5-(2-CHLORO-4-FLUOROBENZYL)-1

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

C200-3317

Molecular Formula

C18H18Cl2FN3O4S (C18 H18 Cl2 FN3 O4 S)

Compound Name

2-[5-(2-CHLORO-4-FLUOROBENZYL)-1

IUPAC name

n/a

SMILES

COc(ccc(NC(CN(CCN1Cc(ccc(F)c2)c2Cl)S1(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C18H18Cl2FN3O4S/c1-28-17-5-4-14(9-16(17)20)22-18(25)11-24-7-6-23(29(24,26)27)10-12-2-3-13(21)8-15(12)19/h2-5,8-9H,6-7,10-11H2,1H3,(H,22,25)

InChI Key

VFSGOLQDCWQGSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.86

Polar Surface Area

67.524

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

C200-3317 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-3317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3317?
Check Price and Availability of C200-3317, 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 C200-3317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3317
  • 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 C200-3317 available by request