0864-0004 Screening compound: benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methyl-1-oxopentan-2-yl}carbamate

0864-0004 Screening compound: benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methyl-1-oxopentan-2-yl}carbamate
0864-0004 Screening compound: benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methyl-1-oxopentan-2-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0864-0004
benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methyl-1-oxopentan-2-yl}carbamate

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

0864-0004

Molecular Formula

C40H60N4O10 (C40 H60 N4 O10)

Compound Name

benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-3-methyl-1-oxopentan-2-yl}carbamate

IUPAC name

benzyl N-{1-[16-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)-141013-tetraoxa-716-diazacyclooctadecan-7-yl]-3-methyl-1-oxopentan-2-yl}carbamate

SMILES

CCC(C)C(C(N(CCOCCOCC1)CCOCCOCCN1C(C(C(C)CC)NC(OCc1ccccc1)=O)=O)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C40H60N4O10/c1-5-31(3)35(41-39(47)53-29-33-13-9-7-10-14-33)37(45)43-17-21-49-25-27-51-23-19-44(20-24-52-28-26-50-22-18-43)38(46)36(32(4)6-2)42-40(48)54-30-34-15-11-8-12-16-34/h7-16,31-32,35-36H,5-6,17-30H2,1-4H3,(H,41,47)(H,42,48)

InChI Key

KPCQSZYOEREFKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

756.94

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

4.874

Distribution Coefficient, logD

4.874

Water Solubility, LogSw

-4.72

Polar Surface Area

130.295

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

60.00

0864-0004 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 0864-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0864-0004?
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What is the minimum amount of 0864-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0864-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0864-0004
  • 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 0864-0004 available by request