0073-0016 Screening compound: 1,5-bis[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl] 3,3-bis({2-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethoxy]-2-oxoethyl})pentanedioate

0073-0016 Screening compound: 1,5-bis[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl] 3,3-bis({2-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethoxy]-2-oxoethyl})pentanedioate
0073-0016 Screening compound: 1,5-bis[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl] 3,3-bis({2-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethoxy]-2-oxoethyl})pentanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0073-0016
1,5-bis[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl] 3,3-bis({2-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethoxy]-2-oxoethyl})pentanedioate

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

0073-0016

Molecular Formula

C73H108O12 (C73 H108 O12)

Compound Name

1,5-bis[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl] 3,3-bis({2-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethoxy]-2-oxoethyl})pentanedioate

IUPAC name

15-bis[2-(35-di-tert-butyl-4-hydroxyphenyl)ethyl] 33-bis({2-[2-(35-di-tert-butyl-4-hydroxyphenyl)ethoxy]-2-oxoethyl})pentanedioate

SMILES

CC(C)(C)c1cc(CCOC(CC(CC(OCCc(cc2C(C)(C)C)cc(C(C)(C)C)c2O)=O)(CC(OCCc(cc2C(C)(C)C)cc(C(C)(C)C)c2O)=O)CC(OCCc(cc2C(C)(C)C)cc(C(C)(C)C)c2O)=O)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C73H108O12/c1-65(2,3)49-33-45(34-50(61(49)78)66(4,5)6)25-29-82-57(74)41-73(42-58(75)83-30-26-46-35-51(67(7,8)9)62(79)52(36-46)68(10,11)12,43-59(76)84-31-27-47-37-53(69(13,14)15)63(80)54(38-47)70(16,17)18)44-60(77)85-32-28-48-39-55(71(19,20)21)64(81)56(40-48)72(22,23)24/h33-40,78-81H,25-32,41-44H2,1-24H3

InChI Key

SPCWRZVFXLREPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

1177.65

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

32.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

16.637

Distribution Coefficient, logD

16.637

Water Solubility, LogSw

-5.54

Polar Surface Area

143.152

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.60

0073-0016 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0073-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0073-0016?
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What is the minimum amount of 0073-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0073-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0073-0016
  • 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 0073-0016 available by request