8001-5134 Screening compound: 2-nitro-N-{4-[({2-[4-({4-[(2-nitrobenzoyl)amino]benzoyl}amino)phenyl]-1H-1,3-benzimidazol-6-yl}amino)carbonyl]phenyl}benzamide

8001-5134 Screening compound: 2-nitro-N-{4-[({2-[4-({4-[(2-nitrobenzoyl)amino]benzoyl}amino)phenyl]-1H-1,3-benzimidazol-6-yl}amino)carbonyl]phenyl}benzamide
8001-5134 Screening compound: 2-nitro-N-{4-[({2-[4-({4-[(2-nitrobenzoyl)amino]benzoyl}amino)phenyl]-1H-1,3-benzimidazol-6-yl}amino)carbonyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-5134
2-nitro-N-{4-[({2-[4-({4-[(2-nitrobenzoyl)amino]benzoyl}amino)phenyl]-1H-1,3-benzimidazol-6-yl}amino)carbonyl]phenyl}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

8001-5134

Molecular Formula

C41H28N8O8 (C41 H28 N8 O8)

Compound Name

2-nitro-N-{4-[({2-[4-({4-[(2-nitrobenzoyl)amino]benzoyl}amino)phenyl]-1H-1,3-benzimidazol-6-yl}amino)carbonyl]phenyl}benzamide

IUPAC name

2-nitro-N-{4-[(2-{4-[4-(2-nitrobenzamido)benzamido]phenyl}-1H-13-benzodiazol-6-yl)carbamoyl]phenyl}benzamide

SMILES

[O-][N+](c(cccc1)c1C(Nc(cc1)ccc1C(Nc(cc1)ccc1-c1nc(ccc(NC(c(cc2)ccc2NC(c(cccc2)c2[N+]([O-])=O)=O)=O)c2)c2[nH]1)=O)=O)=O

InChI

InChI=1S/C41H28N8O8/c50-38(25-11-17-28(18-12-25)43-40(52)31-5-1-3-7-35(31)48(54)55)42-27-15-9-24(10-16-27)37-46-33-22-21-30(23-34(33)47-37)45-39(51)26-13-19-29(20-14-26)44-41(53)32-6-2-4-8-36(32)49(56)57/h1-23H,(H,42,50)(H,43,52)(H,44,53)(H,45,51)(H,46,47)

InChI Key

OLQCULVNIAZWAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

760.72

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

6.484

Distribution Coefficient, logD

5.592

Water Solubility, LogSw

-6.09

Polar Surface Area

177.784

Acid Dissociation Constant (pKa)

6.57

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8001-5134 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8001-5134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-5134?
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What is the minimum amount of 8001-5134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-5134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-5134
  • 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 8001-5134 available by request