1411-0098 Screening compound: benzyl 3-{[(tert-butoxy)carbonyl]amino}-3-({1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)propanoate

1411-0098 Screening compound: benzyl 3-{[(tert-butoxy)carbonyl]amino}-3-({1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)propanoate
1411-0098 Screening compound: benzyl 3-{[(tert-butoxy)carbonyl]amino}-3-({1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1411-0098
benzyl 3-{[(tert-butoxy)carbonyl]amino}-3-({1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)propanoate

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

1411-0098

Molecular Formula

C32H43N3O8 (C32 H43 N3 O8)

Compound Name

benzyl 3-{[(tert-butoxy)carbonyl]amino}-3-({1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)propanoate

IUPAC name

benzyl 3-{[(tert-butoxy)carbonyl]amino}-3-({1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)propanoate

SMILES

CCC(C)C(C(NC(Cc1ccccc1)C(OC)=O)=O)NC(C(CC(OCc1ccccc1)=O)NC(OC(C)(C)C)=O)=O

InChI

InChI=1S/C32H43N3O8/c1-7-21(2)27(29(38)33-25(30(39)41-6)18-22-14-10-8-11-15-22)35-28(37)24(34-31(40)43-32(3,4)5)19-26(36)42-20-23-16-12-9-13-17-23/h8-17,21,24-25,27H,7,18-20H2,1-6H3,(H,33,38)(H,34,40)(H,35,37)

InChI Key

GBJLPVNMWGIESU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.71

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

21.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.386

Distribution Coefficient, logD

5.386

Water Solubility, LogSw

-5.44

Polar Surface Area

121.533

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

46.90

1411-0098 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 1411-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1411-0098?
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What is the minimum amount of 1411-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1411-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1411-0098
  • 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 1411-0098 available by request