4248-0115 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

4248-0115 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide
4248-0115 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4248-0115
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-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

4248-0115

Molecular Formula

C23H20BrN3O3S (C23 H20 BrN3 O3 S)

Compound Name

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

IUPAC name

N-[4-(4-bromophenyl)-13-thiazol-2-yl]-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

SMILES

CC(C)CC(C(Nc1nc(-c(cc2)ccc2Br)cs1)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C23H20BrN3O3S/c1-13(2)11-19(27-21(29)16-5-3-4-6-17(16)22(27)30)20(28)26-23-25-18(12-31-23)14-7-9-15(24)10-8-14/h3-10,12-13,19H,11H2,1-2H3,(H,25,26,28)/t19-/m0/s1

InChI Key

SPBYALBLSBCOHM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02333499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.585

Distribution Coefficient, logD

6.585

Water Solubility, LogSw

-5.71

Polar Surface Area

61.554

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

4248-0115 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4248-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4248-0115?
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What is the minimum amount of 4248-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4248-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4248-0115
  • 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 4248-0115 available by request