T636-1118 Screening compound: N-(1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-5-methylthiophene-2-carboxamide

T636-1118 Screening compound: N-(1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-5-methylthiophene-2-carboxamide
T636-1118 Screening compound: N-(1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-5-methylthiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T636-1118
N-(1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-5-methylthiophene-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

T636-1118

Molecular Formula

C17H20N4OS (C17 H20 N4 OS)

Compound Name

N-(1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-5-methylthiophene-2-carboxamide

IUPAC name

N-(1-{5H6H7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-5-methylthiophene-2-carboxamide

SMILES

Cc1ccc(C(NC(CC2)CN2c2ncnc3c2CCC3)=O)s1

InChI

InChI=1S/C17H20N4OS/c1-11-5-6-15(23-11)17(22)20-12-7-8-21(9-12)16-13-3-2-4-14(13)18-10-19-16/h5-6,10,12H,2-4,7-9H2,1H3,(H,20,22)/t12-/m0/s1

InChI Key

CLDNOUUCDJNTNG-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27622916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.205

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.51

Polar Surface Area

50.485

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

T636-1118 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T636-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T636-1118?
Check Price and Availability of T636-1118, 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 T636-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T636-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T636-1118
  • 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 T636-1118 available by request