D731-0204 Screening compound: 1,4-dimethyl 2-(7-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)benzene-1,4-dicarboxylate

D731-0204 Screening compound: 1,4-dimethyl 2-(7-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)benzene-1,4-dicarboxylate
D731-0204 Screening compound: 1,4-dimethyl 2-(7-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0204
1,4-dimethyl 2-(7-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)benzene-1,4-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

D731-0204

Molecular Formula

C21H18ClNO7 (C21 H18 ClNO7)

Compound Name

1,4-dimethyl 2-(7-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-(7-chloro-3-methyl-1-oxo-34-dihydro-1H-2-benzopyran-3-amido)benzene-14-dicarboxylate

SMILES

CC(Cc(cc1)c2cc1Cl)(C(Nc(cc(cc1)C(OC)=O)c1C(OC)=O)=O)OC2=O

InChI

InChI=1S/C21H18ClNO7/c1-21(10-12-4-6-13(22)9-15(12)19(26)30-21)20(27)23-16-8-11(17(24)28-2)5-7-14(16)18(25)29-3/h4-9H,10H2,1-3H3,(H,23,27)/t21-/m0/s1

InChI Key

HEVJDUXRXBWBGJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD09759980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.83

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.106

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-4.60

Polar Surface Area

85.101

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D731-0204 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 D731-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0204?
Check Price and Availability of D731-0204, 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 D731-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0204
  • 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 D731-0204 available by request