T978-1900 Screening compound: N-(2-{7-carbamoyl-2H-[1,3]dioxolo[4,5-d]pyrimidin-5-yl}propan-2-yl)pyridine-2-carboxamide

T978-1900 Screening compound: N-(2-{7-carbamoyl-2H-[1,3]dioxolo[4,5-d]pyrimidin-5-yl}propan-2-yl)pyridine-2-carboxamide
T978-1900 Screening compound: N-(2-{7-carbamoyl-2H-[1,3]dioxolo[4,5-d]pyrimidin-5-yl}propan-2-yl)pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T978-1900
N-(2-{7-carbamoyl-2H-[1,3]dioxolo[4,5-d]pyrimidin-5-yl}propan-2-yl)pyridine-2-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

T978-1900

Molecular Formula

C15H15N5O4 (C15 H15 N5 O4)

Compound Name

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

IUPAC name

N-(2-{7-carbamoyl-2H-[13]dioxolo[45-d]pyrimidin-5-yl}propan-2-yl)pyridine-2-carboxamide

SMILES

CC(C)(c1nc(C(N)=O)c2OCOc2n1)NC(c1ncccc1)=O

InChI

InChI=1S/C15H15N5O4/c1-15(2,20-12(22)8-5-3-4-6-17-8)14-18-9(11(16)21)10-13(19-14)24-7-23-10/h3-6H,7H2,1-2H3,(H2,16,21)(H,20,22)

InChI Key

DPPCTYNZGHCCDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.582

Distribution Coefficient, logD

0.582

Water Solubility, LogSw

-1.68

Polar Surface Area

103.832

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

T978-1900 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T978-1900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T978-1900?
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What is the minimum amount of T978-1900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T978-1900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T978-1900
  • 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 T978-1900 available by request