Y080-1315 Screening compound: 5-(oxolane-2-carbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

Y080-1315 Screening compound: 5-(oxolane-2-carbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
Y080-1315 Screening compound: 5-(oxolane-2-carbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1315
5-(oxolane-2-carbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

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

Y080-1315

Molecular Formula

C14H16N2O3 (C14 H16 N2 O3)

Compound Name

5-(oxolane-2-carbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

IUPAC name

5-(oxolane-2-carbonyl)-2345-tetrahydro-1H-15-benzodiazepin-2-one

SMILES

O=C(C1OCCC1)N(CC1)c(cccc2)c2NC1=O

InChI

InChI=1S/C14H16N2O3/c17-13-7-8-16(14(18)12-6-3-9-19-12)11-5-2-1-4-10(11)15-13/h1-2,4-5,12H,3,6-9H2,(H,15,17)/t12-/m0/s1

InChI Key

XOSCLIJXWGKNRN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD30458125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.597

Distribution Coefficient, logD

0.567

Water Solubility, LogSw

-1.99

Polar Surface Area

49.194

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

Y080-1315 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y080-1315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1315?
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What is the minimum amount of Y080-1315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1315
  • 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 Y080-1315 available by request