M072-0592 Screening compound: 3-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]-1-[(oxolan-2-yl)methyl]urea

M072-0592 Screening compound: 3-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]-1-[(oxolan-2-yl)methyl]urea
M072-0592 Screening compound: 3-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]-1-[(oxolan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M072-0592
3-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]-1-[(oxolan-2-yl)methyl]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

M072-0592

Molecular Formula

C17H23N3O4S2 (C17 H23 N3 O4 S2)

Compound Name

3-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]-1-[(oxolan-2-yl)methyl]urea

IUPAC name

3-[2-(2-methylpropanesulfonyl)-13-benzothiazol-6-yl]-1-[(oxolan-2-yl)methyl]urea

SMILES

CC(C)CS(c1nc(ccc(NC(NCC2OCCC2)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C17H23N3O4S2/c1-11(2)10-26(22,23)17-20-14-6-5-12(8-15(14)25-17)19-16(21)18-9-13-4-3-7-24-13/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H2,18,19,21)/t13-/m1/s1

InChI Key

MDINMLJZTZPAMB-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27496078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

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

2.993

Distribution Coefficient, logD

2.993

Water Solubility, LogSw

-3.51

Polar Surface Area

81.049

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

M072-0592 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M072-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M072-0592?
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What is the minimum amount of M072-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M072-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M072-0592
  • 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 M072-0592 available by request