D077-0203 Screening compound: 2-[5-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid

D077-0203 Screening compound: 2-[5-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid
D077-0203 Screening compound: 2-[5-(4-chlorophenyl)-1,3-dimethyl-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 D077-0203
2-[5-(4-chlorophenyl)-1,3-dimethyl-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

D077-0203

Molecular Formula

C16H14ClN3O4 (C16 H14 ClN3 O4)

Compound Name

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

IUPAC name

2-[5-(4-chlorophenyl)-13-dimethyl-24-dioxo-1H2H3H4H6H-pyrrolo[34-d]pyrimidin-6-yl]acetic acid

SMILES

CN(c1cn(CC(O)=O)c(-c(cc2)ccc2Cl)c1C(N1C)=O)C1=O

InChI

InChI=1S/C16H14ClN3O4/c1-18-11-7-20(8-12(21)22)14(9-3-5-10(17)6-4-9)13(11)15(23)19(2)16(18)24/h3-7H,8H2,1-2H3,(H,21,22)

InChI Key

QJTNYHPGSAVKSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.931

Distribution Coefficient, logD

-3.125

Water Solubility, LogSw

-2.41

Polar Surface Area

60.984

Acid Dissociation Constant (pKa)

3.34

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D077-0203 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D077-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0203?
Check Price and Availability of D077-0203, 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 D077-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0203
  • 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 D077-0203 available by request