G987-0038 Screening compound: methyl 2-(2-{1-oxo-1H,2H,7H,8H,9H,10H-[1,2,4]triazino[4,5-b]indazol-2-yl}acetamido)benzoate

G987-0038 Screening compound: methyl 2-(2-{1-oxo-1H,2H,7H,8H,9H,10H-[1,2,4]triazino[4,5-b]indazol-2-yl}acetamido)benzoate
G987-0038 Screening compound: methyl 2-(2-{1-oxo-1H,2H,7H,8H,9H,10H-[1,2,4]triazino[4,5-b]indazol-2-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G987-0038
methyl 2-(2-{1-oxo-1H,2H,7H,8H,9H,10H-[1,2,4]triazino[4,5-b]indazol-2-yl}acetamido)benzoate

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

G987-0038

Molecular Formula

C19H19N5O4 (C19 H19 N5 O4)

Compound Name

methyl 2-(2-{1-oxo-1H,2H,7H,8H,9H,10H-[1,2,4]triazino[4,5-b]indazol-2-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{1-oxo-1H2H7H8H9H10H-[124]triazino[45-b]indazol-2-yl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CN1N=Cn2nc(CCCC3)c3c2C1=O)=O)=O

InChI

InChI=1S/C19H19N5O4/c1-28-19(27)13-7-3-4-8-14(13)21-16(25)10-23-18(26)17-12-6-2-5-9-15(12)22-24(17)11-20-23/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,21,25)

InChI Key

XNSUMGKXKOUKJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.301

Distribution Coefficient, logD

1.292

Water Solubility, LogSw

-2.45

Polar Surface Area

87.240

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G987-0038 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G987-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G987-0038?
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What is the minimum amount of G987-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G987-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G987-0038
  • 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 G987-0038 available by request