8017-0534 Screening compound: N~1~-[1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-3,4,5-trimethoxybenzamide

8017-0534 Screening compound: N~1~-[1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-3,4,5-trimethoxybenzamide
8017-0534 Screening compound: N~1~-[1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0534
N~1~-[1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-3,4,5-trimethoxybenzamide

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

8017-0534

Molecular Formula

C20H17ClF3N3O6 (C20 H17 ClF3 N3 O6)

Compound Name

N~1~-[1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[1-(3-chlorophenyl)-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-345-trimethoxybenzamide

SMILES

COc1cc(C(NC(C(F)(F)F)(C(N2c3cccc(Cl)c3)=O)NC2=O)=O)cc(OC)c1OC

InChI

InChI=1S/C20H17ClF3N3O6/c1-31-13-7-10(8-14(32-2)15(13)33-3)16(28)25-19(20(22,23)24)17(29)27(18(30)26-19)12-6-4-5-11(21)9-12/h4-9H,1-3H3,(H,25,28)(H,26,30)/t19-/m1/s1

InChI Key

MGLNOWXPAVHLCO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06013711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.82

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

-1.177

Water Solubility, LogSw

-3.71

Polar Surface Area

88.164

Acid Dissociation Constant (pKa)

3.23

Base Dissociation Constant (pKb)

-6.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8017-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0534?
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What is the minimum amount of 8017-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0534
  • 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 8017-0534 available by request