D077-0379 Screening compound: 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid

D077-0379 Screening compound: 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid
D077-0379 Screening compound: 2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0379
2-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid

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

D077-0379

Molecular Formula

C16H14N4O6 (C16 H14 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

CN(c1cn(CC(O)=O)c(-c2cccc([N+]([O-])=O)c2)c1C(N1C)=O)C1=O

InChI

InChI=1S/C16H14N4O6/c1-17-11-7-19(8-12(21)22)14(13(11)15(23)18(2)16(17)24)9-4-3-5-10(6-9)20(25)26/h3-7H,8H2,1-2H3,(H,21,22)

InChI Key

WWHUYXFCAKNBMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.369

Distribution Coefficient, logD

-3.688

Water Solubility, LogSw

-1.60

Polar Surface Area

94.365

Acid Dissociation Constant (pKa)

3.34

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with D077-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0379?
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What is the minimum amount of D077-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0379
  • 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 D077-0379 available by request