6872-4168 Screening compound: methyl 4-[6,7-dimethyl-3,9-dioxo-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate

6872-4168 Screening compound: methyl 4-[6,7-dimethyl-3,9-dioxo-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate
6872-4168 Screening compound: methyl 4-[6,7-dimethyl-3,9-dioxo-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-4168
methyl 4-[6,7-dimethyl-3,9-dioxo-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]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

6872-4168

Molecular Formula

C24H18N2O5S (C24 H18 N2 O5 S)

Compound Name

methyl 4-[6,7-dimethyl-3,9-dioxo-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate

IUPAC name

methyl 4-[67-dimethyl-39-dioxo-2-(13-thiazol-2-yl)-1H2H3H9H-chromeno[23-c]pyrrol-1-yl]benzoate

SMILES

Cc(c(C)c1)cc2c1OC(C(N(C1c(cc3)ccc3C(OC)=O)c3nccs3)=O)=C1C2=O

InChI

InChI=1S/C24H18N2O5S/c1-12-10-16-17(11-13(12)2)31-21-18(20(16)27)19(26(22(21)28)24-25-8-9-32-24)14-4-6-15(7-5-14)23(29)30-3/h4-11,19H,1-3H3/t19-/m1/s1

InChI Key

OKAAZEGWWSDBKV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04447852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.735

Distribution Coefficient, logD

4.735

Water Solubility, LogSw

-4.72

Polar Surface Area

67.548

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

6872-4168 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6872-4168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-4168?
Check Price and Availability of 6872-4168, 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 6872-4168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-4168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-4168
  • 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 6872-4168 available by request