T977-1664 Screening compound: 2-{1-[(3-cyanobenzyl)amino]-1-methylethyl}-6,7-dihydro[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide

T977-1664 Screening compound: 2-{1-[(3-cyanobenzyl)amino]-1-methylethyl}-6,7-dihydro[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide
T977-1664 Screening compound: 2-{1-[(3-cyanobenzyl)amino]-1-methylethyl}-6,7-dihydro[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T977-1664
2-{1-[(3-cyanobenzyl)amino]-1-methylethyl}-6,7-dihydro[1,4]dioxino[2,3-d]pyrimidine-4-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

T977-1664

Molecular Formula

C18H19N5O3 (C18 H19 N5 O3)

Compound Name

2-{1-[(3-cyanobenzyl)amino]-1-methylethyl}-6,7-dihydro[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide

IUPAC name

n/a

SMILES

CC(C)(c(nc1C(N)=O)nc2c1OCCO2)NCc1cc(C#N)ccc1

InChI

InChI=1S/C18H19N5O3/c1-18(2,21-10-12-5-3-4-11(8-12)9-19)17-22-13(15(20)24)14-16(23-17)26-7-6-25-14/h3-5,8,21H,6-7,10H2,1-2H3,(H2,20,24)

InChI Key

MEIIBJAHYPEOCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.985

Distribution Coefficient, logD

0.943

Water Solubility, LogSw

-1.90

Polar Surface Area

97.691

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with T977-1664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T977-1664?
Check Price and Availability of T977-1664, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T977-1664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T977-1664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T977-1664
  • 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 T977-1664 available by request