T636-1235 Screening compound: N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)tetrahydro-1H-pyrrol-3-yl]-N'-(2-furylmethyl)urea

T636-1235 Screening compound: N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)tetrahydro-1H-pyrrol-3-yl]-N'-(2-furylmethyl)urea
T636-1235 Screening compound: N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)tetrahydro-1H-pyrrol-3-yl]-N'-(2-furylmethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T636-1235
N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)tetrahydro-1H-pyrrol-3-yl]-N'-(2-furylmethyl)urea

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

T636-1235

Molecular Formula

C17H21N5O2 (C17 H21 N5 O2)

Compound Name

N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)tetrahydro-1H-pyrrol-3-yl]-N'-(2-furylmethyl)urea

IUPAC name

3-(1-{5H6H7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-1-[(furan-2-yl)methyl]urea

SMILES

O=C(NCc1ccco1)NC(CC1)CN1c1ncnc2c1CCC2

InChI

InChI=1S/C17H21N5O2/c23-17(18-9-13-3-2-8-24-13)21-12-6-7-22(10-12)16-14-4-1-5-15(14)19-11-20-16/h2-3,8,11-12H,1,4-7,9-10H2,(H2,18,21,23)/t12-/m0/s1

InChI Key

SBWVRQQCIZXUQB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27622933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.038

Distribution Coefficient, logD

2.018

Water Solubility, LogSw

-2.34

Polar Surface Area

67.750

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

T636-1235 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T636-1235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T636-1235?
Check Price and Availability of T636-1235, 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 T636-1235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T636-1235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T636-1235
  • 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 T636-1235 available by request