3814-0251 Screening compound: 6'-amino-6-bromo-3',5-dimethyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

3814-0251 Screening compound: 6'-amino-6-bromo-3',5-dimethyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
3814-0251 Screening compound: 6'-amino-6-bromo-3',5-dimethyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3814-0251
6'-amino-6-bromo-3',5-dimethyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-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

3814-0251

Molecular Formula

C16H12BrN5O2 (C16 H12 BrN5 O2)

Compound Name

6'-amino-6-bromo-3',5-dimethyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

IUPAC name

6'-amino-6-bromo-3'5-dimethyl-2-oxo-12-dihydro-1'H-spiro[indole-34'-pyrano[23-c]pyrazole]-5'-carbonitrile

SMILES

Cc1n[nH]c2c1C(c(c(N1)c3)cc(C)c3Br)(C1=O)C(C#N)=C(N)O2

InChI

InChI=1S/C16H12BrN5O2/c1-6-3-8-11(4-10(6)17)20-15(23)16(8)9(5-18)13(19)24-14-12(16)7(2)21-22-14/h3-4H,19H2,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1

InChI Key

XWVJDGPFIDMSNC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02073342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.982

Water Solubility, LogSw

-2.82

Polar Surface Area

95.795

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

3814-0251 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3814-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3814-0251?
Check Price and Availability of 3814-0251, 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 3814-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3814-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3814-0251
  • 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 3814-0251 available by request