3448-5847 Screening compound: 6-amino-4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

3448-5847 Screening compound: 6-amino-4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
3448-5847 Screening compound: 6-amino-4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-5847
6-amino-4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H,4H-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

3448-5847

Molecular Formula

C21H17N5O5 (C21 H17 N5 O5)

Compound Name

6-amino-4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(34-dimethoxyphenyl)-3-(4-nitrophenyl)-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

COc(ccc(C1C(C#N)=C(N)Oc2c1c(-c(cc1)ccc1[N+]([O-])=O)n[nH]2)c1)c1OC

InChI

InChI=1S/C21H17N5O5/c1-29-15-8-5-12(9-16(15)30-2)17-14(10-22)20(23)31-21-18(17)19(24-25-21)11-3-6-13(7-4-11)26(27)28/h3-9,17H,23H2,1-2H3,(H,24,25)/t17-/m0/s1

InChI Key

XHWMOWDMYOOZAP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02642715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.515

Distribution Coefficient, logD

2.515

Water Solubility, LogSw

-2.96

Polar Surface Area

119.115

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

3448-5847 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3448-5847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-5847?
Check Price and Availability of 3448-5847, 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 3448-5847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-5847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-5847
  • 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 3448-5847 available by request