G786-0918 Screening compound: 4-[(2-methylpiperidin-1-yl)sulfonyl]-N-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]benzamide

G786-0918 Screening compound: 4-[(2-methylpiperidin-1-yl)sulfonyl]-N-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]benzamide
G786-0918 Screening compound: 4-[(2-methylpiperidin-1-yl)sulfonyl]-N-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0918
4-[(2-methylpiperidin-1-yl)sulfonyl]-N-[6-(propan-2-yl)-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

G786-0918

Molecular Formula

C23H27N3O3S2 (C23 H27 N3 O3 S2)

Compound Name

4-[(2-methylpiperidin-1-yl)sulfonyl]-N-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]benzamide

IUPAC name

4-[(2-methylpiperidin-1-yl)sulfonyl]-N-[6-(propan-2-yl)-13-benzothiazol-2-yl]benzamide

SMILES

CC(C)c(cc1)cc2c1nc(NC(c(cc1)ccc1S(N1C(C)CCCC1)(=O)=O)=O)s2

InChI

InChI=1S/C23H27N3O3S2/c1-15(2)18-9-12-20-21(14-18)30-23(24-20)25-22(27)17-7-10-19(11-8-17)31(28,29)26-13-5-4-6-16(26)3/h7-12,14-16H,4-6,13H2,1-3H3,(H,24,25,27)/t16-/m0/s1

InChI Key

LVLNEYFYXAZUEC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05924913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.613

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-5.36

Polar Surface Area

64.864

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

G786-0918 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G786-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0918?
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What is the minimum amount of G786-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0918
  • 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 G786-0918 available by request