1682-2994 Screening compound: N-(3-chlorophenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

1682-2994 Screening compound: N-(3-chlorophenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide
1682-2994 Screening compound: N-(3-chlorophenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-2994
N-(3-chlorophenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

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

1682-2994

Molecular Formula

C20H19ClN2O3 (C20 H19 ClN2 O3)

Compound Name

N-(3-chlorophenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

IUPAC name

N-(3-chlorophenyl)-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

SMILES

CC(C)CC(C(Nc1cccc(Cl)c1)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C20H19ClN2O3/c1-12(2)10-17(18(24)22-14-7-5-6-13(21)11-14)23-19(25)15-8-3-4-9-16(15)20(23)26/h3-9,11-12,17H,10H2,1-2H3,(H,22,24)/t17-/m0/s1

InChI Key

MCMNKZMKRXJASR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00707995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.808

Distribution Coefficient, logD

4.808

Water Solubility, LogSw

-4.80

Polar Surface Area

51.779

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

1682-2994 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1682-2994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-2994?
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What is the minimum amount of 1682-2994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-2994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-2994
  • 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 1682-2994 available by request