8020-6804 Screening compound: 8,10-diamino-7-(3,4,5-trimethoxyphenyl)-7H-benzo[7,8]chromeno[2,3-b]pyridin-9-yl cyanide

8020-6804 Screening compound: 8,10-diamino-7-(3,4,5-trimethoxyphenyl)-7H-benzo[7,8]chromeno[2,3-b]pyridin-9-yl cyanide
8020-6804 Screening compound: 8,10-diamino-7-(3,4,5-trimethoxyphenyl)-7H-benzo[7,8]chromeno[2,3-b]pyridin-9-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6804
8,10-diamino-7-(3,4,5-trimethoxyphenyl)-7H-benzo[7,8]chromeno[2,3-b]pyridin-9-yl cyanide

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

8020-6804

Molecular Formula

C26H22N4O4 (C26 H22 N4 O4)

Compound Name

8,10-diamino-7-(3,4,5-trimethoxyphenyl)-7H-benzo[7,8]chromeno[2,3-b]pyridin-9-yl cyanide

IUPAC name

24-diamino-5-(345-trimethoxyphenyl)-5H-12-oxa-1-azatetraphene-3-carbonitrile

SMILES

COc1cc(C(c(ccc2ccccc22)c2Oc2nc(N)c3C#N)c2c3N)cc(OC)c1OC

InChI

InChI=1S/C26H22N4O4/c1-31-18-10-14(11-19(32-2)24(18)33-3)20-16-9-8-13-6-4-5-7-15(13)23(16)34-26-21(20)22(28)17(12-27)25(29)30-26/h4-11,20H,1-3H3,(H4,28,29,30)/t20-/m1/s1

InChI Key

PMCIMURLCYPWOS-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD26098514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.84

Polar Surface Area

95.845

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.38

8020-6804 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-6804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6804?
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What is the minimum amount of 8020-6804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6804
  • 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 8020-6804 available by request