8012-0527 Screening compound: 6-amino-4-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

8012-0527 Screening compound: 6-amino-4-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
8012-0527 Screening compound: 6-amino-4-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0527
6-amino-4-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-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

8012-0527

Molecular Formula

C21H17FN4O3 (C21 H17 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C1C(C#N)=C(N)Oc2c1c(-c(cc1)ccc1F)n[nH]2)c1)c1OC

InChI

InChI=1S/C21H17FN4O3/c1-27-15-8-5-12(9-16(15)28-2)17-14(10-23)20(24)29-21-18(17)19(25-26-21)11-3-6-13(22)7-4-11/h3-9,17H,24H2,1-2H3,(H,25,26)/t17-/m0/s1

InChI Key

ZKKMMGINWYGPOR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03035645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.619

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-3.12

Polar Surface Area

85.734

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

8012-0527 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 8012-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0527?
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What is the minimum amount of 8012-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0527
  • 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 8012-0527 available by request