8014-2656 Screening compound: N~1~,N~3~-bis(1-cyclohexyl-1H-1,3-benzimidazol-5-yl)-5-nitroisophthalamide

8014-2656 Screening compound: N~1~,N~3~-bis(1-cyclohexyl-1H-1,3-benzimidazol-5-yl)-5-nitroisophthalamide
8014-2656 Screening compound: N~1~,N~3~-bis(1-cyclohexyl-1H-1,3-benzimidazol-5-yl)-5-nitroisophthalamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2656
N~1~,N~3~-bis(1-cyclohexyl-1H-1,3-benzimidazol-5-yl)-5-nitroisophthalamide

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

8014-2656

Molecular Formula

C34H35N7O4 (C34 H35 N7 O4)

Compound Name

N~1~,N~3~-bis(1-cyclohexyl-1H-1,3-benzimidazol-5-yl)-5-nitroisophthalamide

IUPAC name

N1N3-bis(1-cyclohexyl-1H-13-benzodiazol-5-yl)-5-nitrobenzene-13-dicarboxamide

SMILES

[O-][N+](c1cc(C(Nc(cc2)cc3c2n(C2CCCCC2)cn3)=O)cc(C(Nc(cc2)cc3c2n(C2CCCCC2)cn3)=O)c1)=O

InChI

InChI=1S/C34H35N7O4/c42-33(37-24-11-13-31-29(18-24)35-20-39(31)26-7-3-1-4-8-26)22-15-23(17-28(16-22)41(44)45)34(43)38-25-12-14-32-30(19-25)36-21-40(32)27-9-5-2-6-10-27/h11-21,26-27H,1-10H2,(H,37,42)(H,38,43)

InChI Key

RFOQPNZJHWYOKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

605.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

7.027

Distribution Coefficient, logD

7.009

Water Solubility, LogSw

-6.05

Polar Surface Area

100.756

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

8014-2656 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8014-2656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2656?
Check Price and Availability of 8014-2656, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-2656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2656
  • 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 8014-2656 available by request