1262-0249 Screening compound: benzyl 4-(octylcarbamoyl)-4-(phenylformamido)butanoate

1262-0249 Screening compound: benzyl 4-(octylcarbamoyl)-4-(phenylformamido)butanoate
1262-0249 Screening compound: benzyl 4-(octylcarbamoyl)-4-(phenylformamido)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1262-0249
benzyl 4-(octylcarbamoyl)-4-(phenylformamido)butanoate

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

1262-0249

Molecular Formula

C27H36N2O4 (C27 H36 N2 O4)

Compound Name

benzyl 4-(octylcarbamoyl)-4-(phenylformamido)butanoate

IUPAC name

benzyl 4-(octylcarbamoyl)-4-(phenylformamido)butanoate

SMILES

CCCCCCCCNC(C(CCC(OCc1ccccc1)=O)NC(c1ccccc1)=O)=O

InChI

InChI=1S/C27H36N2O4/c1-2-3-4-5-6-13-20-28-27(32)24(29-26(31)23-16-11-8-12-17-23)18-19-25(30)33-21-22-14-9-7-10-15-22/h7-12,14-17,24H,2-6,13,18-21H2,1H3,(H,28,32)(H,29,31)/t24-/m0/s1

InChI Key

IEPUTDDBFFQFDX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01118963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.830

Distribution Coefficient, logD

5.830

Water Solubility, LogSw

-5.28

Polar Surface Area

69.343

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

1262-0249 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 1262-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1262-0249?
Check Price and Availability of 1262-0249, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1262-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1262-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1262-0249
  • 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 1262-0249 available by request