G841-0088 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-(ethylsulfanyl)benzamide

G841-0088 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-(ethylsulfanyl)benzamide
G841-0088 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-(ethylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G841-0088
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-(ethylsulfanyl)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

G841-0088

Molecular Formula

C22H18N2O2S2 (C22 H18 N2 O2 S2)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-(ethylsulfanyl)benzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)-3-hydroxyphenyl]-3-(ethylsulfanyl)benzamide

SMILES

CCSc1cccc(C(Nc(cc2)cc(O)c2-c2nc(cccc3)c3s2)=O)c1

InChI

InChI=1S/C22H18N2O2S2/c1-2-27-16-7-5-6-14(12-16)21(26)23-15-10-11-17(19(25)13-15)22-24-18-8-3-4-9-20(18)28-22/h3-13,25H,2H2,1H3,(H,23,26)

InChI Key

USWKGPRRGRTXAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09247269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.118

Distribution Coefficient, logD

6.111

Water Solubility, LogSw

-5.22

Polar Surface Area

49.327

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G841-0088 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Hsp90-Targeted Library (11355 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with G841-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G841-0088?
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What is the minimum amount of G841-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G841-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G841-0088
  • 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 G841-0088 available by request