8017-2361 Screening compound: 1,3-dimethyl-6,7-dinitro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione

8017-2361 Screening compound: 1,3-dimethyl-6,7-dinitro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
8017-2361 Screening compound: 1,3-dimethyl-6,7-dinitro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2361
1,3-dimethyl-6,7-dinitro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione

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

8017-2361

Molecular Formula

C8H7N5O6 (C8 H7 N5 O6)

Compound Name

1,3-dimethyl-6,7-dinitro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione

IUPAC name

13-dimethyl-67-dinitro-1H2H3H4H5H-pyrrolo[32-d]pyrimidine-24-dione

SMILES

CN(c1c(C(N2C)=O)[nH]c([N+]([O-])=O)c1[N+]([O-])=O)C2=O

InChI

InChI=1S/C8H7N5O6/c1-10-4-3(7(14)11(2)8(10)15)9-6(13(18)19)5(4)12(16)17/h9H,1-2H3

InChI Key

SWKMIZVYJHRLFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.17

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.576

Distribution Coefficient, logD

-1.678

Water Solubility, LogSw

-0.84

Polar Surface Area

109.088

Acid Dissociation Constant (pKa)

0.01

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8017-2361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2361?
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What is the minimum amount of 8017-2361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2361
  • 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 8017-2361 available by request