D090-0143 Screening compound: 3-{7-[3-(dimethylamino)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate

D090-0143 Screening compound: 3-{7-[3-(dimethylamino)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate
D090-0143 Screening compound: 3-{7-[3-(dimethylamino)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0143
3-{7-[3-(dimethylamino)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate

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

D090-0143

Molecular Formula

C24H33N5O7 (C24 H33 N5 O7)

Compound Name

3-{7-[3-(dimethylamino)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate

IUPAC name

3-{7-[3-(dimethylamino)propyl]-3-methyl-26-dioxo-2367-tetrahydro-1H-purin-1-yl}propyl 345-trimethoxybenzoate

SMILES

CN(C)CCCn1c(C(N(CCCOC(c(cc2OC)cc(OC)c2OC)=O)C(N2C)=O)=O)c2nc1

InChI

InChI=1S/C24H33N5O7/c1-26(2)9-7-10-28-15-25-21-19(28)22(30)29(24(32)27(21)3)11-8-12-36-23(31)16-13-17(33-4)20(35-6)18(14-16)34-5/h13-15H,7-12H2,1-6H3

InChI Key

XPTMLGWHWQHKBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02925810

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

503.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.168

Distribution Coefficient, logD

-0.968

Water Solubility, LogSw

-1.85

Polar Surface Area

91.043

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

9.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D090-0143 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D090-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0143?
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What is the minimum amount of D090-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0143
  • 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 D090-0143 available by request