8003-9937 Screening compound: 2-(7-{[2-(4-nitrobenzoyloxy)ethyl]carbamoyl}heptanamido)ethyl 4-nitrobenzoate

8003-9937 Screening compound: 2-(7-{[2-(4-nitrobenzoyloxy)ethyl]carbamoyl}heptanamido)ethyl 4-nitrobenzoate
8003-9937 Screening compound: 2-(7-{[2-(4-nitrobenzoyloxy)ethyl]carbamoyl}heptanamido)ethyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-9937
2-(7-{[2-(4-nitrobenzoyloxy)ethyl]carbamoyl}heptanamido)ethyl 4-nitrobenzoate

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

8003-9937

Molecular Formula

C26H30N4O10 (C26 H30 N4 O10)

Compound Name

2-(7-{[2-(4-nitrobenzoyloxy)ethyl]carbamoyl}heptanamido)ethyl 4-nitrobenzoate

IUPAC name

2-(7-{[2-(4-nitrobenzoyloxy)ethyl]carbamoyl}heptanamido)ethyl 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1C(OCCNC(CCCCCCC(NCCOC(c(cc1)ccc1[N+]([O-])=O)=O)=O)=O)=O)=O

InChI

InChI=1S/C26H30N4O10/c31-23(27-15-17-39-25(33)19-7-11-21(12-8-19)29(35)36)5-3-1-2-4-6-24(32)28-16-18-40-26(34)20-9-13-22(14-10-20)30(37)38/h7-14H,1-6,15-18H2,(H,27,31)(H,28,32)

InChI Key

UYXULPWBILQFJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.55

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

21.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.676

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-3.91

Polar Surface Area

157.452

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8003-9937 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 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
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8003-9937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-9937?
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What is the minimum amount of 8003-9937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-9937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-9937
  • 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 8003-9937 available by request