1262-0262 Screening compound: benzyl 5-(octylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoate

1262-0262 Screening compound: benzyl 5-(octylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoate
1262-0262 Screening compound: benzyl 5-(octylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1262-0262
benzyl 5-(octylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoate

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

1262-0262

Molecular Formula

C28H38N2O4 (C28 H38 N2 O4)

Compound Name

benzyl 5-(octylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoate

IUPAC name

benzyl 4-(octylcarbamoyl)-4-(2-phenylacetamido)butanoate

SMILES

CCCCCCCCNC(C(CCC(OCc1ccccc1)=O)NC(Cc1ccccc1)=O)=O

InChI

InChI=1S/C28H38N2O4/c1-2-3-4-5-6-13-20-29-28(33)25(30-26(31)21-23-14-9-7-10-15-23)18-19-27(32)34-22-24-16-11-8-12-17-24/h7-12,14-17,25H,2-6,13,18-22H2,1H3,(H,29,33)(H,30,31)/t25-/m0/s1

InChI Key

VTCQAWQCWAVJDV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01118976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.852

Distribution Coefficient, logD

5.852

Water Solubility, LogSw

-5.25

Polar Surface Area

69.129

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.43

1262-0262 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 1262-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1262-0262?
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What is the minimum amount of 1262-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1262-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1262-0262
  • 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 1262-0262 available by request