5144-0081 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylamino)-3-methylpentanoic acid

5144-0081 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylamino)-3-methylpentanoic acid
5144-0081 Screening compound: 2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylamino)-3-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5144-0081
2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylamino)-3-methylpentanoic acid

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

5144-0081

Molecular Formula

C15H19N3O2S (C15 H19 N3 O2 S)

Compound Name

2-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylamino)-3-methylpentanoic acid

IUPAC name

3-methyl-2-({7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)911-tetraen-12-yl}amino)pentanoic acid

SMILES

CCC(C)C(C(O)=O)Nc1c(c(CCC2)c2s2)c2ncn1

InChI

InChI=1S/C15H19N3O2S/c1-3-8(2)12(15(19)20)18-13-11-9-5-4-6-10(9)21-14(11)17-7-16-13/h7-8,12H,3-6H2,1-2H3,(H,19,20)(H,16,17,18)

InChI Key

DQXLHGIEOPHCII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03714926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

-1.340

Water Solubility, LogSw

-2.29

Polar Surface Area

60.346

Acid Dissociation Constant (pKa)

3.73

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

5144-0081 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5144-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5144-0081?
Check Price and Availability of 5144-0081, 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 5144-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5144-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5144-0081
  • 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 5144-0081 available by request