8016-8856 Screening compound: 4,7-diamino-2-(methylsulfanyl)-5-(2,3,4-trimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

8016-8856 Screening compound: 4,7-diamino-2-(methylsulfanyl)-5-(2,3,4-trimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
8016-8856 Screening compound: 4,7-diamino-2-(methylsulfanyl)-5-(2,3,4-trimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8856
4,7-diamino-2-(methylsulfanyl)-5-(2,3,4-trimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-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

8016-8856

Molecular Formula

C18H19N5O4S (C18 H19 N5 O4 S)

Compound Name

4,7-diamino-2-(methylsulfanyl)-5-(2,3,4-trimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

IUPAC name

47-diamino-2-(methylsulfanyl)-5-(234-trimethoxyphenyl)-5H-pyrano[23-d]pyrimidine-6-carbonitrile

SMILES

COc(ccc(C1C(C#N)=C(N)Oc2c1c(N)nc(SC)n2)c1OC)c1OC

InChI

InChI=1S/C18H19N5O4S/c1-24-10-6-5-8(13(25-2)14(10)26-3)11-9(7-19)16(21)27-17-12(11)15(20)22-18(23-17)28-4/h5-6,11H,21H2,1-4H3,(H2,20,22,23)/t11-/m0/s1

InChI Key

JDMGWYNZBWGHIW-NSHDSACASA-N

MDL Number (MFCD)

MFCD05859998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.114

Distribution Coefficient, logD

2.114

Water Solubility, LogSw

-2.76

Polar Surface Area

108.267

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

8016-8856 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-8856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8856?
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What is the minimum amount of 8016-8856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8856
  • 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 8016-8856 available by request