D148-0501 Screening compound: methyl 2-[8-chloro-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate

D148-0501 Screening compound: methyl 2-[8-chloro-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate
D148-0501 Screening compound: methyl 2-[8-chloro-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D148-0501
methyl 2-[8-chloro-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate

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

D148-0501

Molecular Formula

C18H13ClN4O3S (C18 H13 ClN4 O3 S)

Compound Name

methyl 2-[8-chloro-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate

IUPAC name

methyl 2-{12-chloro-1113-dimethyl-6-oxo-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}benzoate

SMILES

Cc1c(c(N=NN(c(cccc2)c2C(OC)=O)C2=O)c2s2)c2nc(C)c1Cl

InChI

InChI=1S/C18H13ClN4O3S/c1-8-12-14-15(27-16(12)20-9(2)13(8)19)17(24)23(22-21-14)11-7-5-4-6-10(11)18(25)26-3/h4-7H,1-3H3

InChI Key

NLFCDYQVINYPGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

4.573

Water Solubility, LogSw

-4.90

Polar Surface Area

68.432

Acid Dissociation Constant (pKa)

29.19

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D148-0501 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 D148-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D148-0501?
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What is the minimum amount of D148-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D148-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D148-0501
  • 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 D148-0501 available by request