T003-0093 Screening compound: methyl 3-{[({2-methyl-4-[1-(4-pentynoyl)-4-piperidyl]-5-pyrimidinyl}carbonyl)amino]methyl}benzoate

T003-0093 Screening compound: methyl 3-{[({2-methyl-4-[1-(4-pentynoyl)-4-piperidyl]-5-pyrimidinyl}carbonyl)amino]methyl}benzoate
T003-0093 Screening compound: methyl 3-{[({2-methyl-4-[1-(4-pentynoyl)-4-piperidyl]-5-pyrimidinyl}carbonyl)amino]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T003-0093
methyl 3-{[({2-methyl-4-[1-(4-pentynoyl)-4-piperidyl]-5-pyrimidinyl}carbonyl)amino]methyl}benzoate

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

T003-0093

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

methyl 3-{[({2-methyl-4-[1-(4-pentynoyl)-4-piperidyl]-5-pyrimidinyl}carbonyl)amino]methyl}benzoate

IUPAC name

methyl 3-[({2-methyl-4-[1-(pent-4-ynoyl)piperidin-4-yl]pyrimidin-5-yl}formamido)methyl]benzoate

SMILES

Cc(nc1)nc(C(CC2)CCN2C(CCC#C)=O)c1C(NCc1cccc(C(OC)=O)c1)=O

InChI

InChI=1S/C25H28N4O4/c1-4-5-9-22(30)29-12-10-19(11-13-29)23-21(16-26-17(2)28-23)24(31)27-15-18-7-6-8-20(14-18)25(32)33-3/h1,6-8,14,16,19H,5,9-13,15H2,2-3H3,(H,27,31)

InChI Key

WYZUAMQRSHJSDC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.432

Distribution Coefficient, logD

2.432

Water Solubility, LogSw

-2.74

Polar Surface Area

81.423

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with T003-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T003-0093?
Check Price and Availability of T003-0093, 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 T003-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T003-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T003-0093
  • 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 T003-0093 available by request