Y040-5125 Screening compound: 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide

Y040-5125 Screening compound: 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
Y040-5125 Screening compound: 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5125
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide

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

Y040-5125

Molecular Formula

C16H15N3O3S2 (C16 H15 N3 O3 S2)

Compound Name

2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide

IUPAC name

2-methyl-N-[(4-sulfamoylphenyl)methyl]-13-benzothiazole-6-carboxamide

SMILES

Cc1nc(ccc(C(NCc(cc2)ccc2S(N)(=O)=O)=O)c2)c2s1

InChI

InChI=1S/C16H15N3O3S2/c1-10-19-14-7-4-12(8-15(14)23-10)16(20)18-9-11-2-5-13(6-3-11)24(17,21)22/h2-8H,9H2,1H3,(H,18,20)(H2,17,21,22)

InChI Key

JFRMLWXTXGJCRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12205934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.660

Distribution Coefficient, logD

1.660

Water Solubility, LogSw

-2.52

Polar Surface Area

84.782

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y040-5125 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-5125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5125?
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What is the minimum amount of Y040-5125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5125
  • 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 Y040-5125 available by request