8011-8996 Screening compound: 4-[6-amino-5-cyano-3-(4-methoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl morpholine-4-carboxylate

8011-8996 Screening compound: 4-[6-amino-5-cyano-3-(4-methoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl morpholine-4-carboxylate
8011-8996 Screening compound: 4-[6-amino-5-cyano-3-(4-methoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl morpholine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8996
4-[6-amino-5-cyano-3-(4-methoxyphenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl morpholine-4-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

8011-8996

Molecular Formula

C27H26BrN5O6 (C27 H26 BrN5 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(C2C(C#N)=C(N)Oc3c2c(-c(cc2)ccc2OC)n[nH]3)cc(Br)c1OC(N1CCOCC1)=O

InChI

InChI=1S/C27H26BrN5O6/c1-3-37-20-13-16(12-19(28)24(20)38-27(34)33-8-10-36-11-9-33)21-18(14-29)25(30)39-26-22(21)23(31-32-26)15-4-6-17(35-2)7-5-15/h4-7,12-13,21H,3,8-11,30H2,1-2H3,(H,31,32)/t21-/m0/s1

InChI Key

BRXTWJIAWTYNRS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03035399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.496

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.78

Polar Surface Area

115.905

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with 8011-8996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8996?
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What is the minimum amount of 8011-8996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8996
  • 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 8011-8996 available by request