1488-0235 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-(5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

1488-0235 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-(5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
1488-0235 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-(5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1488-0235
4-[bis(2-chloroethyl)sulfamoyl]-N-(5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

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

1488-0235

Molecular Formula

C19H23Cl2N3O3S2 (C19 H23 Cl2 N3 O3 S2)

Compound Name

4-[bis(2-chloroethyl)sulfamoyl]-N-(5-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

IUPAC name

4-[bis(2-chloroethyl)sulfamoyl]-N-(5-methyl-4567-tetrahydro-13-benzothiazol-2-yl)benzamide

SMILES

CC(CC1)Cc2c1sc(NC(c(cc1)ccc1S(N(CCCl)CCCl)(=O)=O)=O)n2

InChI

InChI=1S/C19H23Cl2N3O3S2/c1-13-2-7-17-16(12-13)22-19(28-17)23-18(25)14-3-5-15(6-4-14)29(26,27)24(10-8-20)11-9-21/h3-6,13H,2,7-12H2,1H3,(H,22,23,25)/t13-/m1/s1

InChI Key

JXTDOPMGIPAMGK-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01531469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.652

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-4.34

Polar Surface Area

66.401

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

1488-0235 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1488-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1488-0235?
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What is the minimum amount of 1488-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1488-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1488-0235
  • 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 1488-0235 available by request