3132-0988 Screening compound: 6-amino-4-(4-butoxy-3-methoxyphenyl)-3-propyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

3132-0988 Screening compound: 6-amino-4-(4-butoxy-3-methoxyphenyl)-3-propyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
3132-0988 Screening compound: 6-amino-4-(4-butoxy-3-methoxyphenyl)-3-propyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-0988
6-amino-4-(4-butoxy-3-methoxyphenyl)-3-propyl-2H,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

3132-0988

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

6-amino-4-(4-butoxy-3-methoxyphenyl)-3-propyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(4-butoxy-3-methoxyphenyl)-3-propyl-2H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

CCCCOc(ccc(C1C(C#N)=C(N)Oc2n[nH]c(CCC)c12)c1)c1OC

InChI

InChI=1S/C21H26N4O3/c1-4-6-10-27-16-9-8-13(11-17(16)26-3)18-14(12-22)20(23)28-21-19(18)15(7-5-2)24-25-21/h8-9,11,18H,4-7,10,23H2,1-3H3,(H,24,25)/t18-/m1/s1

InChI Key

XZULVOKGHSKLEA-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01606472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.872

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-4.18

Polar Surface Area

86.375

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 3132-0988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-0988?
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What is the minimum amount of 3132-0988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-0988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-0988
  • 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 3132-0988 available by request