Y040-5749 Screening compound: N-cyclooctyl-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide

Y040-5749 Screening compound: N-cyclooctyl-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide
Y040-5749 Screening compound: N-cyclooctyl-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5749
N-cyclooctyl-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide

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

Y040-5749

Molecular Formula

C20H27N3O3 (C20 H27 N3 O3)

Compound Name

N-cyclooctyl-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanamide

IUPAC name

N-cyclooctyl-3-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]propanamide

SMILES

O=C(CCC(C(Nc1c2cccc1)=O)NC2=O)NC1CCCCCCC1

InChI

InChI=1S/C20H27N3O3/c24-18(21-14-8-4-2-1-3-5-9-14)13-12-17-20(26)22-16-11-7-6-10-15(16)19(25)23-17/h6-7,10-11,14,17H,1-5,8-9,12-13H2,(H,21,24)(H,22,26)(H,23,25)/t17-/m0/s1

InChI Key

MQMUTDLLTSAHEZ-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-3.88

Polar Surface Area

75.478

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with Y040-5749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5749?
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What is the minimum amount of Y040-5749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5749
  • 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 Y040-5749 available by request