Y041-8372 Screening compound: N-(1H-indol-5-yl)-3-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

Y041-8372 Screening compound: N-(1H-indol-5-yl)-3-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide
Y041-8372 Screening compound: N-(1H-indol-5-yl)-3-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8372
N-(1H-indol-5-yl)-3-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

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

Y041-8372

Molecular Formula

C18H15N3O2S (C18 H15 N3 O2 S)

Compound Name

N-(1H-indol-5-yl)-3-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

IUPAC name

N-(1H-indol-5-yl)-3-(3-oxo-23-dihydro-12-benzothiazol-2-yl)propanamide

SMILES

O=C(CCN1Sc(cccc2)c2C1=O)Nc(cc1)cc2c1[nH]cc2

InChI

InChI=1S/C18H15N3O2S/c22-17(20-13-5-6-15-12(11-13)7-9-19-15)8-10-21-18(23)14-3-1-2-4-16(14)24-21/h1-7,9,11,19H,8,10H2,(H,20,22)

InChI Key

WNJZFCFRSAFPFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16622952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-3.40

Polar Surface Area

50.536

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y041-8372 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-8372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8372?
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What is the minimum amount of Y041-8372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8372
  • 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 Y041-8372 available by request