3394-0276 Screening compound: 4-[6-amino-5-cyano-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate

3394-0276 Screening compound: 4-[6-amino-5-cyano-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate
3394-0276 Screening compound: 4-[6-amino-5-cyano-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3394-0276
4-[6-amino-5-cyano-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate

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

3394-0276

Molecular Formula

C25H17N5O6S (C25 H17 N5 O6 S)

Compound Name

4-[6-amino-5-cyano-3-(3-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate

IUPAC name

4-[6-amino-5-cyano-3-(3-nitrophenyl)-1H4H-pyrano[23-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate

SMILES

COc(cc(C1C(C#N)=C(N)Oc2c1c(-c1cc([N+]([O-])=O)ccc1)n[nH]2)cc1)c1OC(c1cccs1)=O

InChI

InChI=1S/C25H17N5O6S/c1-34-18-11-13(7-8-17(18)35-25(31)19-6-3-9-37-19)20-16(12-26)23(27)36-24-21(20)22(28-29-24)14-4-2-5-15(10-14)30(32)33/h2-11,20H,27H2,1H3,(H,28,29)/t20-/m0/s1

InChI Key

BCGNFWHYMFYVJP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01971997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.46

Polar Surface Area

132.968

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 3394-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3394-0276?
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What is the minimum amount of 3394-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3394-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3394-0276
  • 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 3394-0276 available by request