D389-1042 Screening compound: 2-[9-(3-chloro-4-methylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide

D389-1042 Screening compound: 2-[9-(3-chloro-4-methylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide
D389-1042 Screening compound: 2-[9-(3-chloro-4-methylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D389-1042
2-[9-(3-chloro-4-methylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide

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

D389-1042

Molecular Formula

C19H21ClN6O3 (C19 H21 ClN6 O3)

Compound Name

2-[9-(3-chloro-4-methylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide

IUPAC name

2-[9-(3-chloro-4-methylphenyl)-17-dimethyl-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl]acetamide

SMILES

CC(Cn1c2nc(N(C)C(N3CC(N)=O)=O)c1C3=O)CN2c1cc(Cl)c(C)cc1

InChI

InChI=1S/C19H21ClN6O3/c1-10-7-24(12-5-4-11(2)13(20)6-12)18-22-16-15(25(18)8-10)17(28)26(9-14(21)27)19(29)23(16)3/h4-6,10H,7-9H2,1-3H3,(H2,21,27)/t10-/m0/s1

InChI Key

CHJPGJOKCYENEE-JTQLQIEISA-N

MDL Number (MFCD)

MFCD08365070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.22

Polar Surface Area

78.309

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

D389-1042 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D389-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-1042?
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What is the minimum amount of D389-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-1042
  • 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 D389-1042 available by request