C138-1413 Screening compound: 6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C138-1413 Screening compound: 6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
C138-1413 Screening compound: 6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-1413
6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

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

C138-1413

Molecular Formula

C22H28N4O5S2 (C22 H28 N4 O5 S2)

Compound Name

6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

IUPAC name

6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(345-trimethoxyphenyl)thieno[23-d]pyrimidin-4-amine

SMILES

CC(CC1)CCN1S(c1c(C)sc2ncnc(Nc(cc3OC)cc(OC)c3OC)c12)(=O)=O

InChI

InChI=1S/C22H28N4O5S2/c1-13-6-8-26(9-7-13)33(27,28)20-14(2)32-22-18(20)21(23-12-24-22)25-15-10-16(29-3)19(31-5)17(11-15)30-4/h10-13H,6-9H2,1-5H3,(H,23,24,25)

InChI Key

HUXAIUZFSLCKNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-4.01

Polar Surface Area

85.394

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C138-1413 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C138-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-1413?
Check Price and Availability of C138-1413, 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 C138-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-1413
  • 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 C138-1413 available by request