Y041-8128 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-4-[(pyrimidin-2-yl)amino]butanamide

Y041-8128 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-4-[(pyrimidin-2-yl)amino]butanamide
Y041-8128 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-4-[(pyrimidin-2-yl)amino]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8128
N-[(1H-1,3-benzodiazol-2-yl)methyl]-4-[(pyrimidin-2-yl)amino]butanamide

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

Y041-8128

Molecular Formula

C16H18N6O (C16 H18 N6 O)

Compound Name

N-[(1H-1,3-benzodiazol-2-yl)methyl]-4-[(pyrimidin-2-yl)amino]butanamide

IUPAC name

N-[(1H-13-benzodiazol-2-yl)methyl]-4-[(pyrimidin-2-yl)amino]butanamide

SMILES

O=C(CCCNc1ncccn1)NCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C16H18N6O/c23-15(7-3-8-17-16-18-9-4-10-19-16)20-11-14-21-12-5-1-2-6-13(12)22-14/h1-2,4-6,9-10H,3,7-8,11H2,(H,20,23)(H,21,22)(H,17,18,19)

InChI Key

YDQZPXNZDCSNDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28366848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.729

Distribution Coefficient, logD

0.728

Water Solubility, LogSw

-1.70

Polar Surface Area

75.637

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y041-8128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8128?
Check Price and Availability of Y041-8128, 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 Y041-8128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8128
  • 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 Y041-8128 available by request