6712-0058 Screening compound: N-{7-bromo-4-methoxy-8H-indeno[1,2-d][1,3]thiazol-2-yl}adamantane-1-carboxamide

6712-0058 Screening compound: N-{7-bromo-4-methoxy-8H-indeno[1,2-d][1,3]thiazol-2-yl}adamantane-1-carboxamide
6712-0058 Screening compound: N-{7-bromo-4-methoxy-8H-indeno[1,2-d][1,3]thiazol-2-yl}adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6712-0058
N-{7-bromo-4-methoxy-8H-indeno[1,2-d][1,3]thiazol-2-yl}adamantane-1-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

6712-0058

Molecular Formula

C22H23BrN2O2S (C22 H23 BrN2 O2 S)

Compound Name

N-{7-bromo-4-methoxy-8H-indeno[1,2-d][1,3]thiazol-2-yl}adamantane-1-carboxamide

IUPAC name

(3R5S7s)-N-{7-bromo-4-methoxy-8H-indeno[12-d][13]thiazol-2-yl}adamantane-1-carboxamide

SMILES

COc(ccc(Br)c1C2)c1-c1c2sc(NC(C2(C[C@H](C3)C4)C[C@H]4C[C@H]3C2)=O)n1

InChI

InChI=1S/C22H23BrN2O2S/c1-27-16-3-2-15(23)14-7-17-19(18(14)16)24-21(28-17)25-20(26)22-8-11-4-12(9-22)6-13(5-11)10-22/h2-3,11-13H,4-10H2,1H3,(H,24,25,26)

InChI Key

MJNVWOMCUCUNMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03725709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.449

Distribution Coefficient, logD

6.449

Water Solubility, LogSw

-5.84

Polar Surface Area

41.916

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

6712-0058 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6712-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6712-0058?
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What is the minimum amount of 6712-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6712-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6712-0058
  • 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 6712-0058 available by request