0615-6083 Screening compound: 4-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide

0615-6083 Screening compound: 4-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide
0615-6083 Screening compound: 4-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0615-6083
4-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide

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

0615-6083

Molecular Formula

C22H17N3O4S (C22 H17 N3 O4 S)

Compound Name

4-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide

IUPAC name

4-methoxy-N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]-3-nitrobenzamide

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1NC(c(cc1)cc([N+]([O-])=O)c1OC)=O)s2

InChI

InChI=1S/C22H17N3O4S/c1-13-3-9-17-20(11-13)30-22(24-17)14-4-7-16(8-5-14)23-21(26)15-6-10-19(29-2)18(12-15)25(27)28/h3-12H,1-2H3,(H,23,26)

InChI Key

RUMJUFNJZVOXDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00582004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

4.932

Water Solubility, LogSw

-4.76

Polar Surface Area

73.490

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 0615-6083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0615-6083?
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What is the minimum amount of 0615-6083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0615-6083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0615-6083
  • 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 0615-6083 available by request