8012-3523 Screening compound: 1'-acetyl-2-amino-7-(furan-2-yl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile

8012-3523 Screening compound: 1'-acetyl-2-amino-7-(furan-2-yl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile
8012-3523 Screening compound: 1'-acetyl-2-amino-7-(furan-2-yl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3523
1'-acetyl-2-amino-7-(furan-2-yl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile

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

8012-3523

Molecular Formula

C23H17N3O5 (C23 H17 N3 O5)

Compound Name

1'-acetyl-2-amino-7-(furan-2-yl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carbonitrile

IUPAC name

1'-acetyl-2-amino-7-(furan-2-yl)-2'5-dioxo-1'2'5678-hexahydrospiro[chromene-43'-indole]-3-carbonitrile

SMILES

CC(N(C(C12C(C#N)=C(N)OC(CC(C3)c4ccco4)=C1C3=O)=O)c1c2cccc1)=O

InChI

InChI=1S/C23H17N3O5/c1-12(27)26-16-6-3-2-5-14(16)23(22(26)29)15(11-24)21(25)31-19-10-13(9-17(28)20(19)23)18-7-4-8-30-18/h2-8,13H,9-10,25H2,1H3

InChI Key

LZKXNJGJYATSPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.435

Distribution Coefficient, logD

1.435

Water Solubility, LogSw

-1.99

Polar Surface Area

96.702

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.74

8012-3523 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8012-3523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3523?
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What is the minimum amount of 8012-3523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3523
  • 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 8012-3523 available by request