E005-0654 Screening compound: 1,3-dimethyl 5-(2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}butanamido)benzene-1,3-dicarboxylate

E005-0654 Screening compound: 1,3-dimethyl 5-(2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}butanamido)benzene-1,3-dicarboxylate
E005-0654 Screening compound: 1,3-dimethyl 5-(2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}butanamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E005-0654
1,3-dimethyl 5-(2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}butanamido)benzene-1,3-dicarboxylate

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

E005-0654

Molecular Formula

C25H24N4O6 (C25 H24 N4 O6)

Compound Name

1,3-dimethyl 5-(2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}butanamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(2-{4-methyl-2-oxo-2H6H-pyrimido[12-b]indazol-6-yl}butanamido)benzene-13-dicarboxylate

SMILES

CCC(C(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)=O)N(c(cccc1)c1C1=N2)N1C(C)=CC2=O

InChI

InChI=1S/C25H24N4O6/c1-5-19(23(31)26-17-12-15(24(32)34-3)11-16(13-17)25(33)35-4)29-20-9-7-6-8-18(20)22-27-21(30)10-14(2)28(22)29/h6-13,19H,5H2,1-4H3,(H,26,31)/t19-/m0/s1

InChI Key

XAQMANYSTIPIOR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14836492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.654

Distribution Coefficient, logD

3.654

Water Solubility, LogSw

-4.09

Polar Surface Area

93.047

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

E005-0654 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E005-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E005-0654?
Check Price and Availability of E005-0654, 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 E005-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E005-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E005-0654
  • 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 E005-0654 available by request