1411-0056 Screening compound: benzyl 2-[(1-{[1-(2-carbamoylpyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylbutyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

1411-0056 Screening compound: benzyl 2-[(1-{[1-(2-carbamoylpyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylbutyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
1411-0056 Screening compound: benzyl 2-[(1-{[1-(2-carbamoylpyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylbutyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1411-0056
benzyl 2-[(1-{[1-(2-carbamoylpyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylbutyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

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

1411-0056

Molecular Formula

C30H43N5O7 (C30 H43 N5 O7)

Compound Name

benzyl 2-[(1-{[1-(2-carbamoylpyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylbutyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

IUPAC name

benzyl 2-[(1-{[1-(2-carbamoylpyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylbutyl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

SMILES

CCC(C)C(C(NC(C(C)CC)C(N(CCC1)C1C(N)=O)=O)=O)NC(C(CC1)N(C(OCc2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C30H43N5O7/c1-5-18(3)24(28(39)33-25(19(4)6-2)29(40)34-16-10-13-21(34)26(31)37)32-27(38)22-14-15-23(36)35(22)30(41)42-17-20-11-8-7-9-12-20/h7-9,11-12,18-19,21-22,24-25H,5-6,10,13-17H2,1-4H3,(H2,31,37)(H,32,38)(H,33,39)

InChI Key

MACRWUZSSFLAMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.7

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.290

Distribution Coefficient, logD

1.290

Water Solubility, LogSw

-1.80

Polar Surface Area

134.868

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

60.00

1411-0056 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 1411-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1411-0056?
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What is the minimum amount of 1411-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1411-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1411-0056
  • 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 1411-0056 available by request