Y042-4010 Screening compound: N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide

Y042-4010 Screening compound: N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide
Y042-4010 Screening compound: N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4010
N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-2-isobutyl-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

Y042-4010

Molecular Formula

C19H22N4O3S (C19 H22 N4 O3 S)

Compound Name

N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide

IUPAC name

N-(5-tert-butyl-134-thiadiazol-2-yl)-2-(2-methylpropyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxamide

SMILES

CC(C)CN(C(c(cc1)c2cc1C(Nc1nnc(C(C)(C)C)s1)=O)=O)C2=O

InChI

InChI=1S/C19H22N4O3S/c1-10(2)9-23-15(25)12-7-6-11(8-13(12)16(23)26)14(24)20-18-22-21-17(27-18)19(3,4)5/h6-8,10H,9H2,1-5H3,(H,20,22,24)

InChI Key

DXTVRAUNZXNYGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13760757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

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

4.255

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-4.22

Polar Surface Area

76.399

Acid Dissociation Constant (pKa)

5.74

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with Y042-4010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4010?
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What is the minimum amount of Y042-4010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4010
  • 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 Y042-4010 available by request