Y021-2357 Screening compound: 3'-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-methyl-1'{H}-spiro[indole-3,2'-quinazoline]-2,4'(1{H},3'{H})-dione

Y021-2357 Screening compound: 3'-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-methyl-1'{H}-spiro[indole-3,2'-quinazoline]-2,4'(1{H},3'{H})-dione
Y021-2357 Screening compound: 3'-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-methyl-1'{H}-spiro[indole-3,2'-quinazoline]-2,4'(1{H},3'{H})-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2357
3'-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-methyl-1'{H}-spiro[indole-3,2'-quinazoline]-2,4'(1{H},3'{H})-dione

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

Y021-2357

Molecular Formula

C24H24N4O2S (C24 H24 N4 O2 S)

Compound Name

3'-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-methyl-1'{H}-spiro[indole-3,2'-quinazoline]-2,4'(1{H},3'{H})-dione

IUPAC name

3'-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]-1-methyl-123'4'-tetrahydro-1'H-spiro[indole-32'-quinazoline]-24'-dione

SMILES

CN(C)C(CN(C(c(cccc1)c1N1C)(C1=O)Nc1c2cccc1)C2=O)c1cccs1

InChI

InChI=1S/C24H24N4O2S/c1-26(2)20(21-13-8-14-31-21)15-28-22(29)16-9-4-6-11-18(16)25-24(28)17-10-5-7-12-19(17)27(3)23(24)30/h4-14,20,25H,15H2,1-3H3

InChI Key

CJWHWJASGPDMJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13757632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-3.94

Polar Surface Area

46.046

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

Y021-2357 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-2357 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y021-2357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2357
  • 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 Y021-2357 available by request