8016-8852 Screening compound: 4,7-diamino-5-(3-chlorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidin-6-yl cyanide

8016-8852 Screening compound: 4,7-diamino-5-(3-chlorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidin-6-yl cyanide
8016-8852 Screening compound: 4,7-diamino-5-(3-chlorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8852
4,7-diamino-5-(3-chlorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidin-6-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

8016-8852

Molecular Formula

C15H12ClN5OS (C15 H12 ClN5 OS)

Compound Name

4,7-diamino-5-(3-chlorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidin-6-yl cyanide

IUPAC name

47-diamino-5-(3-chlorophenyl)-2-(methylsulfanyl)-5H-pyrano[23-d]pyrimidine-6-carbonitrile

SMILES

CSc1nc(OC(N)=C(C2c3cccc(Cl)c3)C#N)c2c(N)n1

InChI

InChI=1S/C15H12ClN5OS/c1-23-15-20-12(18)11-10(7-3-2-4-8(16)5-7)9(6-17)13(19)22-14(11)21-15/h2-5,10H,19H2,1H3,(H2,18,20,21)/t10-/m1/s1

InChI Key

KPBZYAASHYKRTF-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD05859994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-3.58

Polar Surface Area

85.203

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.33

References: we are preparing a list of scientific research reports with 8016-8852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8852?
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What is the minimum amount of 8016-8852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8852
  • 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 8016-8852 available by request