C097-0240 Screening compound: 1-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3-propylurea

C097-0240 Screening compound: 1-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3-propylurea
C097-0240 Screening compound: 1-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound C097-0240
1-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3-propylurea

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

C097-0240

Molecular Formula

C12H12ClF3N2O3 (C12 H12 ClF3 N2 O3)

Compound Name

1-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3-propylurea

IUPAC name

1-[5-chloro-2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]-3-propylurea

SMILES

CCCNC(NC1(C(F)(F)F)Oc(cc(cc2)Cl)c2O1)=O

InChI

InChI=1S/C12H12ClF3N2O3/c1-2-5-17-10(19)18-12(11(14,15)16)20-8-4-3-7(13)6-9(8)21-12/h3-4,6H,2,5H2,1H3,(H2,17,18,19)/t12-/m0/s1

InChI Key

UMVFHMDXMXKKSU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03620922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.88

Polar Surface Area

49.068

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C097-0240 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 C097-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C097-0240?
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What is the minimum amount of C097-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C097-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C097-0240
  • 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 C097-0240 available by request