T636-1243 Screening compound: 3-(1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-1-[(3-fluorophenyl)methyl]urea

T636-1243 Screening compound: 3-(1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-1-[(3-fluorophenyl)methyl]urea
T636-1243 Screening compound: 3-(1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-1-[(3-fluorophenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T636-1243
3-(1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-1-[(3-fluorophenyl)methyl]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

T636-1243

Molecular Formula

C19H22FN5O (C19 H22 FN5 O)

Compound Name

3-(1-{5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}pyrrolidin-3-yl)-1-[(3-fluorophenyl)methyl]urea

IUPAC name

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

SMILES

O=C(NCc1cccc(F)c1)NC(CC1)CN1c1ncnc2c1CCC2

InChI

InChI=1S/C19H22FN5O/c20-14-4-1-3-13(9-14)10-21-19(26)24-15-7-8-25(11-15)18-16-5-2-6-17(16)22-12-23-18/h1,3-4,9,12,15H,2,5-8,10-11H2,(H2,21,24,26)/t15-/m0/s1

InChI Key

LLPWTAMJFMTBDS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27622935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.451

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-2.75

Polar Surface Area

60.001

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

T636-1243 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)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with T636-1243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T636-1243?
Check Price and Availability of T636-1243, 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 T636-1243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T636-1243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T636-1243
  • 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 T636-1243 available by request