Y300-3331 Screening compound: N,N-dimethyl-1-{4-[(morpholin-4-yl)methyl]benzoyl}-2,3-dihydro-1H-indole-5-sulfonamide

Y300-3331 Screening compound: N,N-dimethyl-1-{4-[(morpholin-4-yl)methyl]benzoyl}-2,3-dihydro-1H-indole-5-sulfonamide
Y300-3331 Screening compound: N,N-dimethyl-1-{4-[(morpholin-4-yl)methyl]benzoyl}-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-3331
N,N-dimethyl-1-{4-[(morpholin-4-yl)methyl]benzoyl}-2,3-dihydro-1H-indole-5-sulfonamide

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

Y300-3331

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

N,N-dimethyl-1-{4-[(morpholin-4-yl)methyl]benzoyl}-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

NN-dimethyl-1-{4-[(morpholin-4-yl)methyl]benzoyl}-23-dihydro-1H-indole-5-sulfonamide

SMILES

CN(C)S(c(cc1)cc(CC2)c1N2C(c1ccc(CN2CCOCC2)cc1)=O)(=O)=O

InChI

InChI=1S/C22H27N3O4S/c1-23(2)30(27,28)20-7-8-21-19(15-20)9-10-25(21)22(26)18-5-3-17(4-6-18)16-24-11-13-29-14-12-24/h3-8,15H,9-14,16H2,1-2H3

InChI Key

FDFCODGXNNJPFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13990666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.853

Distribution Coefficient, logD

1.811

Water Solubility, LogSw

-2.59

Polar Surface Area

61.222

Acid Dissociation Constant (pKa)

25.87

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

Y300-3331 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 Y300-3331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-3331?
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What is the minimum amount of Y300-3331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-3331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-3331
  • 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 Y300-3331 available by request