G786-0116 Screening compound: 2-(2,6-dimethylmorpholin-4-yl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine

G786-0116 Screening compound: 2-(2,6-dimethylmorpholin-4-yl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
G786-0116 Screening compound: 2-(2,6-dimethylmorpholin-4-yl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0116
2-(2,6-dimethylmorpholin-4-yl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine

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

G786-0116

Molecular Formula

C18H24N6O3 (C18 H24 N6 O3)

Compound Name

2-(2,6-dimethylmorpholin-4-yl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine

IUPAC name

2-(26-dimethylmorpholin-4-yl)-N4-(34-dimethylphenyl)-5-nitropyrimidine-46-diamine

SMILES

CC(C1)OC(C)CN1c(nc1N)nc(Nc2cc(C)c(C)cc2)c1[N+]([O-])=O

InChI

InChI=1S/C18H24N6O3/c1-10-5-6-14(7-11(10)2)20-17-15(24(25)26)16(19)21-18(22-17)23-8-12(3)27-13(4)9-23/h5-7,12-13H,8-9H2,1-4H3,(H3,19,20,21,22)

InChI Key

LTTZAUJAACBVAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04009270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-4.23

Polar Surface Area

91.150

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

G786-0116 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G786-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0116?
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What is the minimum amount of G786-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0116
  • 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 G786-0116 available by request