8006-0003 Screening compound: 1,1,5,5-tetraethyl 1,5-bis(benzoyloxy)pentane-1,1,5,5-tetracarboxylate

8006-0003 Screening compound: 1,1,5,5-tetraethyl 1,5-bis(benzoyloxy)pentane-1,1,5,5-tetracarboxylate
8006-0003 Screening compound: 1,1,5,5-tetraethyl 1,5-bis(benzoyloxy)pentane-1,1,5,5-tetracarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0003
1,1,5,5-tetraethyl 1,5-bis(benzoyloxy)pentane-1,1,5,5-tetracarboxylate

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

8006-0003

Molecular Formula

C31H36O12 (C31 H36 O12)

Compound Name

1,1,5,5-tetraethyl 1,5-bis(benzoyloxy)pentane-1,1,5,5-tetracarboxylate

IUPAC name

1155-tetraethyl 15-bis(benzoyloxy)pentane-1155-tetracarboxylate

SMILES

CCOC(C(CCCC(C(OCC)=O)(C(OCC)=O)OC(c1ccccc1)=O)(C(OCC)=O)OC(c1ccccc1)=O)=O

InChI

InChI=1S/C31H36O12/c1-5-38-26(34)30(27(35)39-6-2,42-24(32)22-16-11-9-12-17-22)20-15-21-31(28(36)40-7-3,29(37)41-8-4)43-25(33)23-18-13-10-14-19-23/h9-14,16-19H,5-8,15,20-21H2,1-4H3

InChI Key

PGJJCUPZDYFKIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

600.62

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.268

Distribution Coefficient, logD

5.268

Water Solubility, LogSw

-5.31

Polar Surface Area

122.420

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

8006-0003 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 8006-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0003?
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What is the minimum amount of 8006-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0003
  • 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 8006-0003 available by request