G786-1627 Screening compound: N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

G786-1627 Screening compound: N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
G786-1627 Screening compound: N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1627
N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

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

G786-1627

Molecular Formula

C19H17N3O5S2 (C19 H17 N3 O5 S2)

Compound Name

N-[6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[6-(pyrrolidine-1-sulfonyl)-13-benzothiazol-2-yl]-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1nc(ccc(S(N2CCCC2)(=O)=O)c2)c2s1

InChI

InChI=1S/C19H17N3O5S2/c23-18(12-3-6-15-16(9-12)27-11-26-15)21-19-20-14-5-4-13(10-17(14)28-19)29(24,25)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,20,21,23)

InChI Key

VYDPFHGTRUCWOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05012017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-4.04

Polar Surface Area

82.283

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G786-1627 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G786-1627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1627?
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What is the minimum amount of G786-1627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1627
  • 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 G786-1627 available by request