0133-0009 Screening compound: N1,N3-bis(2-bromophenyl)adamantane-1,3-dicarboxamide

0133-0009 Screening compound: N1,N3-bis(2-bromophenyl)adamantane-1,3-dicarboxamide
0133-0009 Screening compound: N1,N3-bis(2-bromophenyl)adamantane-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0009
N1,N3-bis(2-bromophenyl)adamantane-1,3-dicarboxamide

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

0133-0009

Molecular Formula

C24H24Br2N2O2 (C24 H24 Br2 N2 O2)

Compound Name

N1,N3-bis(2-bromophenyl)adamantane-1,3-dicarboxamide

IUPAC name

N1N3-bis(2-bromophenyl)adamantane-13-dicarboxamide

SMILES

O=C(C(CC(C1)C2)(CC1C1)CC12C(Nc(cccc1)c1Br)=O)Nc(cccc1)c1Br

InChI

InChI=1S/C24H24Br2N2O2/c25-17-5-1-3-7-19(17)27-21(29)23-10-15-9-16(11-23)13-24(12-15,14-23)22(30)28-20-8-4-2-6-18(20)26/h1-8,15-16H,9-14H2,(H,27,29)(H,28,30)

InChI Key

WZMRQBZUQQOFNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.647

Distribution Coefficient, logD

6.647

Water Solubility, LogSw

-6.14

Polar Surface Area

45.059

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0133-0009 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0133-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0009?
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What is the minimum amount of 0133-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0009
  • 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 0133-0009 available by request