C097-0203 Screening compound: methyl 2-({[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}amino)benzoate

C097-0203 Screening compound: methyl 2-({[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}amino)benzoate
C097-0203 Screening compound: methyl 2-({[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C097-0203
methyl 2-({[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}amino)benzoate

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

C097-0203

Molecular Formula

C17H12ClF3N2O5 (C17 H12 ClF3 N2 O5)

Compound Name

methyl 2-({[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}amino)benzoate

IUPAC name

methyl 2-({[5-chloro-2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]carbamoyl}amino)benzoate

SMILES

COC(c(cccc1)c1NC(NC1(C(F)(F)F)Oc(cc(cc2)Cl)c2O1)=O)=O

InChI

InChI=1S/C17H12ClF3N2O5/c1-26-14(24)10-4-2-3-5-11(10)22-15(25)23-17(16(19,20)21)27-12-7-6-9(18)8-13(12)28-17/h2-8H,1H3,(H2,22,23,25)/t17-/m0/s1

InChI Key

RUSOFGVWWWEODH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03620915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-4.89

Polar Surface Area

68.109

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

C097-0203 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C097-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C097-0203?
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What is the minimum amount of C097-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C097-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C097-0203
  • 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 C097-0203 available by request