8007-0670 Screening compound: 1-{2-[(E)-{2-[2-(azepane-1-sulfonyl)-4-nitrophenyl]hydrazin-1-ylidene}methyl]phenyl}-N,N-diethylpiperidine-3-carboxamide

8007-0670 Screening compound: 1-{2-[(E)-{2-[2-(azepane-1-sulfonyl)-4-nitrophenyl]hydrazin-1-ylidene}methyl]phenyl}-N,N-diethylpiperidine-3-carboxamide
8007-0670 Screening compound: 1-{2-[(E)-{2-[2-(azepane-1-sulfonyl)-4-nitrophenyl]hydrazin-1-ylidene}methyl]phenyl}-N,N-diethylpiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0670
1-{2-[(E)-{2-[2-(azepane-1-sulfonyl)-4-nitrophenyl]hydrazin-1-ylidene}methyl]phenyl}-N,N-diethylpiperidine-3-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

8007-0670

Molecular Formula

C29H40N6O5S (C29 H40 N6 O5 S)

Compound Name

1-{2-[(E)-{2-[2-(azepane-1-sulfonyl)-4-nitrophenyl]hydrazin-1-ylidene}methyl]phenyl}-N,N-diethylpiperidine-3-carboxamide

IUPAC name

1-{2-[(E)-{2-[2-(azepane-1-sulfonyl)-4-nitrophenyl]hydrazin-1-ylidene}methyl]phenyl}-NN-diethylpiperidine-3-carboxamide

SMILES

CCN(CC)C(C(CCC1)CN1c1c(/C=N/Nc(ccc([N+]([O-])=O)c2)c2S(N2CCCCCC2)(=O)=O)cccc1)=O

InChI

InChI=1S/C29H40N6O5S/c1-3-32(4-2)29(36)24-13-11-17-33(22-24)27-14-8-7-12-23(27)21-30-31-26-16-15-25(35(37)38)20-28(26)41(39,40)34-18-9-5-6-10-19-34/h7-8,12,14-16,20-21,24,31H,3-6,9-11,13,17-19,22H2,1-2H3/t24-/m0/s1

InChI Key

WNYYEFXISDFKIG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00828136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.74

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

5.097

Water Solubility, LogSw

-4.86

Polar Surface Area

105.118

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

8007-0670 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 8007-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0670?
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What is the minimum amount of 8007-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0670
  • 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 8007-0670 available by request