M072-0509 Screening compound: 3-(2-methoxyethyl)-1-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea

M072-0509 Screening compound: 3-(2-methoxyethyl)-1-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea
M072-0509 Screening compound: 3-(2-methoxyethyl)-1-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M072-0509
3-(2-methoxyethyl)-1-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea

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

M072-0509

Molecular Formula

C14H19N3O4S2 (C14 H19 N3 O4 S2)

Compound Name

3-(2-methoxyethyl)-1-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea

IUPAC name

3-(2-methoxyethyl)-1-[2-(propane-2-sulfonyl)-13-benzothiazol-6-yl]urea

SMILES

CC(C)S(c1nc(ccc(NC(NCCOC)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C14H19N3O4S2/c1-9(2)23(19,20)14-17-11-5-4-10(8-12(11)22-14)16-13(18)15-6-7-21-3/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16,18)

InChI Key

WTWQGMSMFQTNBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-3.17

Polar Surface Area

81.587

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

M072-0509 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 M072-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M072-0509?
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What is the minimum amount of M072-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M072-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M072-0509
  • 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 M072-0509 available by request