D402-0139 Screening compound: 9-(3,4-dimethoxyphenyl)-8-(3-methoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D402-0139 Screening compound: 9-(3,4-dimethoxyphenyl)-8-(3-methoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D402-0139 Screening compound: 9-(3,4-dimethoxyphenyl)-8-(3-methoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D402-0139
9-(3,4-dimethoxyphenyl)-8-(3-methoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

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

D402-0139

Molecular Formula

C21H19N7O4 (C21 H19 N7 O4)

Compound Name

9-(3,4-dimethoxyphenyl)-8-(3-methoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

IUPAC name

8-(34-dimethoxyphenyl)-10-(3-methoxyphenyl)-245671112-heptaazatricyclo[7.4.0.0^{37}]trideca-1(9)351012-pentaen-13-ol

SMILES

COc1cccc(-c(nn2)c(C(c(cc3)cc(OC)c3OC)n3nnnc3N3)c3c2O)c1

InChI

InChI=1S/C21H19N7O4/c1-30-13-6-4-5-11(9-13)17-16-18(20(29)24-23-17)22-21-25-26-27-28(21)19(16)12-7-8-14(31-2)15(10-12)32-3/h4-10,19H,1-3H3,(H,24,29)(H,22,25,27)/t19-/m0/s1

InChI Key

ATJPIKJRFUIOEG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD09157276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.789

Distribution Coefficient, logD

1.789

Water Solubility, LogSw

-2.06

Polar Surface Area

112.570

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

11.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D402-0139 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D402-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D402-0139?
Check Price and Availability of D402-0139, 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 D402-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D402-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D402-0139
  • 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 D402-0139 available by request