3752-0056 Screening compound: 4-chloro-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

3752-0056 Screening compound: 4-chloro-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
3752-0056 Screening compound: 4-chloro-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3752-0056
4-chloro-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

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

3752-0056

Molecular Formula

C14H12ClN3OS (C14 H12 ClN3 OS)

Compound Name

4-chloro-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

15-chloro-55-dimethyl-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)2811(16)1214-hexaene

SMILES

CC(C)(Cc1n2)OCc1cc1c2sc2c1ncnc2Cl

InChI

InChI=1S/C14H12ClN3OS/c1-14(2)4-9-7(5-19-14)3-8-10-11(20-13(8)18-9)12(15)17-6-16-10/h3,6H,4-5H2,1-2H3

InChI Key

HXEPUFUKMJNZOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-3.78

Polar Surface Area

40.010

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

3752-0056 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3752-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3752-0056?
Check Price and Availability of 3752-0056, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3752-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3752-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3752-0056
  • 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 3752-0056 available by request