8011-7194 Screening compound: 4-[6-amino-5-cyano-3-(2,4-dichlorophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl thiophene-2-carboxylate

8011-7194 Screening compound: 4-[6-amino-5-cyano-3-(2,4-dichlorophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl thiophene-2-carboxylate
8011-7194 Screening compound: 4-[6-amino-5-cyano-3-(2,4-dichlorophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7194
4-[6-amino-5-cyano-3-(2,4-dichlorophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl 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

8011-7194

Molecular Formula

C26H17BrCl2N4O4S (C26 H17 BrCl2 N4 O4 S)

Compound Name

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

IUPAC name

4-[6-amino-5-cyano-3-(24-dichlorophenyl)-1H4H-pyrano[23-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl thiophene-2-carboxylate

SMILES

CCOc1cc(C2C(C#N)=C(N)Oc3c2c(-c(ccc(Cl)c2)c2Cl)n[nH]3)cc(Br)c1OC(c1cccs1)=O

InChI

InChI=1S/C26H17BrCl2N4O4S/c1-2-35-18-9-12(8-16(27)23(18)36-26(34)19-4-3-7-38-19)20-15(11-30)24(31)37-25-21(20)22(32-33-25)14-6-5-13(28)10-17(14)29/h3-10,20H,2,31H2,1H3,(H,32,33)/t20-/m0/s1

InChI Key

GTMDASJKVPBYDU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03035044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

632.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.160

Distribution Coefficient, logD

6.160

Water Solubility, LogSw

-6.15

Polar Surface Area

99.253

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 8011-7194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7194?
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What is the minimum amount of 8011-7194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7194
  • 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 8011-7194 available by request