Y042-3983 Screening compound: 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide

Y042-3983 Screening compound: 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide
Y042-3983 Screening compound: 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3983
2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide

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

Y042-3983

Molecular Formula

C17H16N4O3S (C17 H16 N4 O3 S)

Compound Name

2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide

IUPAC name

2-cyclopentyl-N-(5-methyl-134-thiadiazol-2-yl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxamide

SMILES

Cc1nnc(NC(c(cc2)cc(C(N3C4CCCC4)=O)c2C3=O)=O)s1

InChI

InChI=1S/C17H16N4O3S/c1-9-19-20-17(25-9)18-14(22)10-6-7-12-13(8-10)16(24)21(15(12)23)11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,18,20,22)

InChI Key

PULXDSVHHVKLMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12211378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-3.44

Polar Surface Area

75.521

Acid Dissociation Constant (pKa)

5.67

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

References: we are preparing a list of scientific research reports with Y042-3983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3983?
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What is the minimum amount of Y042-3983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3983
  • 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 Y042-3983 available by request