8011-8987 Screening compound: 4-[6-amino-5-cyano-3-(3,4-dichlorophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl morpholine-4-carboxylate

8011-8987 Screening compound: 4-[6-amino-5-cyano-3-(3,4-dichlorophenyl)-1H,4H-pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl morpholine-4-carboxylate
8011-8987 Screening compound: 4-[6-amino-5-cyano-3-(3,4-dichlorophenyl)-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 8011-8987
4-[6-amino-5-cyano-3-(3,4-dichlorophenyl)-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

8011-8987

Molecular Formula

C26H22BrCl2N5O5 (C26 H22 BrCl2 N5 O5)

Compound Name

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

IUPAC name

4-[6-amino-5-cyano-3-(34-dichlorophenyl)-1H4H-pyrano[23-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl morpholine-4-carboxylate

SMILES

CCOc1cc(C2C(C#N)=C(N)Oc3c2c(-c(cc2)cc(Cl)c2Cl)n[nH]3)cc(Br)c1OC(N1CCOCC1)=O

InChI

InChI=1S/C26H22BrCl2N5O5/c1-2-37-19-11-14(9-16(27)23(19)38-26(35)34-5-7-36-8-6-34)20-15(12-30)24(31)39-25-21(20)22(32-33-25)13-3-4-17(28)18(29)10-13/h3-4,9-11,20H,2,5-8,31H2,1H3,(H,32,33)/t20-/m0/s1

InChI Key

SANLJFQTIHZQFF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03035390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-5.08

Polar Surface Area

108.362

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 8011-8987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8987?
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What is the minimum amount of 8011-8987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8987
  • 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 8011-8987 available by request