T978-2007 Screening compound: 1-methyl-N-{2-[7-(methylcarbamoyl)-2H-[1,3]dioxolo[4,5-d]pyrimidin-5-yl]propan-2-yl}-1H-pyrazole-5-carboxamide

T978-2007 Screening compound: 1-methyl-N-{2-[7-(methylcarbamoyl)-2H-[1,3]dioxolo[4,5-d]pyrimidin-5-yl]propan-2-yl}-1H-pyrazole-5-carboxamide
T978-2007 Screening compound: 1-methyl-N-{2-[7-(methylcarbamoyl)-2H-[1,3]dioxolo[4,5-d]pyrimidin-5-yl]propan-2-yl}-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T978-2007
1-methyl-N-{2-[7-(methylcarbamoyl)-2H-[1,3]dioxolo[4,5-d]pyrimidin-5-yl]propan-2-yl}-1H-pyrazole-5-carboxamide

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

T978-2007

Molecular Formula

C15H18N6O4 (C15 H18 N6 O4)

Compound Name

1-methyl-N-{2-[7-(methylcarbamoyl)-2H-[1,3]dioxolo[4,5-d]pyrimidin-5-yl]propan-2-yl}-1H-pyrazole-5-carboxamide

IUPAC name

1-methyl-N-{2-[7-(methylcarbamoyl)-2H-[13]dioxolo[45-d]pyrimidin-5-yl]propan-2-yl}-1H-pyrazole-5-carboxamide

SMILES

CC(C)(c(nc1C(NC)=O)nc2c1OCO2)NC(c1ccnn1C)=O

InChI

InChI=1S/C15H18N6O4/c1-15(2,20-11(22)8-5-6-17-21(8)4)14-18-9(12(23)16-3)10-13(19-14)25-7-24-10/h5-6H,7H2,1-4H3,(H,16,23)(H,20,22)

InChI Key

ACBMQIKSEHEXBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.034

Distribution Coefficient, logD

-0.034

Water Solubility, LogSw

-1.61

Polar Surface Area

99.211

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

T978-2007 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T978-2007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T978-2007?
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What is the minimum amount of T978-2007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T978-2007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T978-2007
  • 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 T978-2007 available by request