T480-0726 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carboxamide

T480-0726 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carboxamide
T480-0726 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T480-0726
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-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

T480-0726

Molecular Formula

C20H20N4O3S2 (C20 H20 N4 O3 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-methyl-4-(thiomorpholin-4-yl)thieno[34-d]pyrimidine-2-carboxamide

SMILES

Cc1c2c(N3CCSCC3)nc(C(NCc(cc3)cc4c3OCO4)=O)nc2cs1

InChI

InChI=1S/C20H20N4O3S2/c1-12-17-14(10-29-12)22-18(23-19(17)24-4-6-28-7-5-24)20(25)21-9-13-2-3-15-16(8-13)27-11-26-15/h2-3,8,10H,4-7,9,11H2,1H3,(H,21,25)

InChI Key

VHQCPVGZQQVTTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29024462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-4.13

Polar Surface Area

64.457

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

T480-0726 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 T480-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T480-0726?
Check Price and Availability of T480-0726, 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 T480-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T480-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T480-0726
  • 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 T480-0726 available by request