D731-0152 Screening compound: 1-oxo-N-{3-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)formamido]propyl}-3,4-dihydro-1H-2-benzopyran-3-carboxamide

D731-0152 Screening compound: 1-oxo-N-{3-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)formamido]propyl}-3,4-dihydro-1H-2-benzopyran-3-carboxamide
D731-0152 Screening compound: 1-oxo-N-{3-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)formamido]propyl}-3,4-dihydro-1H-2-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0152
1-oxo-N-{3-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)formamido]propyl}-3,4-dihydro-1H-2-benzopyran-3-carboxamide

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

D731-0152

Molecular Formula

C23H22N2O6 (C23 H22 N2 O6)

Compound Name

1-oxo-N-{3-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)formamido]propyl}-3,4-dihydro-1H-2-benzopyran-3-carboxamide

IUPAC name

1-oxo-N-{3-[(1-oxo-34-dihydro-1H-2-benzopyran-3-yl)formamido]propyl}-34-dihydro-1H-2-benzopyran-3-carboxamide

SMILES

O=C(C(Cc1c2cccc1)OC2=O)NCCCNC(C(Cc1c2cccc1)OC2=O)=O

InChI

InChI=1S/C23H22N2O6/c26-20(18-12-14-6-1-3-8-16(14)22(28)30-18)24-10-5-11-25-21(27)19-13-15-7-2-4-9-17(15)23(29)31-19/h1-4,6-9,18-19H,5,10-13H2,(H,24,26)(H,25,27)

InChI Key

XLVKLUHTLAOMEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07802507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.574

Distribution Coefficient, logD

1.574

Water Solubility, LogSw

-2.15

Polar Surface Area

90.668

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.40

D731-0152 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D731-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0152?
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What is the minimum amount of D731-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0152
  • 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 D731-0152 available by request