D077-0373 Screening compound: ethyl 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate

D077-0373 Screening compound: ethyl 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
D077-0373 Screening compound: ethyl 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0373
ethyl 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-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

D077-0373

Molecular Formula

C23H20N4O6 (C23 H20 N4 O6)

Compound Name

ethyl 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate

IUPAC name

ethyl 2-[13-dimethyl-5-(3-nitrophenyl)-24-dioxo-1H2H3H4H6H-pyrrolo[34-d]pyrimidin-6-yl]benzoate

SMILES

CCOC(c(cccc1)c1-n(cc1N(C)C(N2C)=O)c(-c3cccc([N+]([O-])=O)c3)c1C2=O)=O

InChI

InChI=1S/C23H20N4O6/c1-4-33-22(29)16-10-5-6-11-17(16)26-13-18-19(21(28)25(3)23(30)24(18)2)20(26)14-8-7-9-15(12-14)27(31)32/h5-13H,4H2,1-3H3

InChI Key

PVGAYOFLIBLAIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.13

Polar Surface Area

86.622

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with D077-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0373?
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What is the minimum amount of D077-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0373
  • 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 D077-0373 available by request