Y042-3112 Screening compound: 3-{2-methyl-4-oxo-1H,4H-pyrimido[1,2-b]indazol-3-yl}propanoic acid

Y042-3112 Screening compound: 3-{2-methyl-4-oxo-1H,4H-pyrimido[1,2-b]indazol-3-yl}propanoic acid
Y042-3112 Screening compound: 3-{2-methyl-4-oxo-1H,4H-pyrimido[1,2-b]indazol-3-yl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3112
3-{2-methyl-4-oxo-1H,4H-pyrimido[1,2-b]indazol-3-yl}propanoic 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

Y042-3112

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

3-{2-methyl-4-oxo-1H,4H-pyrimido[1,2-b]indazol-3-yl}propanoic acid

IUPAC name

3-{2-methyl-4-oxo-1H4H-pyrimido[12-b]indazol-3-yl}propanoic acid

SMILES

CC(Nc1c(cccc2)c2nn11)=C(CCC(O)=O)C1=O

InChI

InChI=1S/C14H13N3O3/c1-8-9(6-7-12(18)19)14(20)17-13(15-8)10-4-2-3-5-11(10)16-17/h2-5,15H,6-7H2,1H3,(H,18,19)

InChI Key

XWWYCHKAMUMGRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27977451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.288

Distribution Coefficient, logD

-1.208

Water Solubility, LogSw

-2.04

Polar Surface Area

65.513

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

Y042-3112 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y042-3112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3112?
Check Price and Availability of Y042-3112, 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 Y042-3112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3112
  • 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 Y042-3112 available by request