G786-1628 Screening compound: 2-phenoxy-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]propanamide

G786-1628 Screening compound: 2-phenoxy-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]propanamide
G786-1628 Screening compound: 2-phenoxy-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1628
2-phenoxy-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]propanamide

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

G786-1628

Molecular Formula

C20H21N3O4S2 (C20 H21 N3 O4 S2)

Compound Name

2-phenoxy-N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]propanamide

IUPAC name

2-phenoxy-N-[6-(pyrrolidine-1-sulfonyl)-13-benzothiazol-2-yl]propanamide

SMILES

CC(C(Nc1nc(ccc(S(N2CCCC2)(=O)=O)c2)c2s1)=O)Oc1ccccc1

InChI

InChI=1S/C20H21N3O4S2/c1-14(27-15-7-3-2-4-8-15)19(24)22-20-21-17-10-9-16(13-18(17)28-20)29(25,26)23-11-5-6-12-23/h2-4,7-10,13-14H,5-6,11-12H2,1H3,(H,21,22,24)/t14-/m0/s1

InChI Key

TVRWCPXMNIMXIY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05012018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

4.039

Water Solubility, LogSw

-3.96

Polar Surface Area

71.957

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G786-1628 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 G786-1628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1628?
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What is the minimum amount of G786-1628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1628
  • 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 G786-1628 available by request