4248-0240 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide

4248-0240 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
4248-0240 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4248-0240
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide

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

4248-0240

Molecular Formula

C18H20N4O3S (C18 H20 N4 O3 S)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methyl-N-[5-(propan-2-yl)-134-thiadiazol-2-yl]butanamide

SMILES

CC(C)C(C(Nc1nnc(C(C)C)s1)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C18H20N4O3S/c1-9(2)13(14(23)19-18-21-20-15(26-18)10(3)4)22-16(24)11-7-5-6-8-12(11)17(22)25/h5-10,13H,1-4H3,(H,19,21,23)/t13-/m0/s1

InChI Key

OCUICBGMFNFUCI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02333666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.721

Water Solubility, LogSw

-4.08

Polar Surface Area

75.360

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

4248-0240 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 4248-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4248-0240?
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What is the minimum amount of 4248-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4248-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4248-0240
  • 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 4248-0240 available by request