6391-0181 Screening compound: methyl 4-methyl-2-[1-(3-nitrophenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate

6391-0181 Screening compound: methyl 4-methyl-2-[1-(3-nitrophenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate
6391-0181 Screening compound: methyl 4-methyl-2-[1-(3-nitrophenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6391-0181
methyl 4-methyl-2-[1-(3-nitrophenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate

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

6391-0181

Molecular Formula

C23H15N3O7S (C23 H15 N3 O7 S)

Compound Name

methyl 4-methyl-2-[1-(3-nitrophenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate

IUPAC name

methyl 4-methyl-2-[1-(3-nitrophenyl)-39-dioxo-1H2H3H9H-chromeno[23-c]pyrrol-2-yl]-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OC)=O)sc(N(C(C2=C3Oc(cccc4)c4C2=O)c2cc([N+]([O-])=O)ccc2)C3=O)n1

InChI

InChI=1S/C23H15N3O7S/c1-11-20(22(29)32-2)34-23(24-11)25-17(12-6-5-7-13(10-12)26(30)31)16-18(27)14-8-3-4-9-15(14)33-19(16)21(25)28/h3-10,17H,1-2H3/t17-/m1/s1

InChI Key

ZNROSZIGFFOGJD-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD04447176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-4.45

Polar Surface Area

101.074

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

6391-0181 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6391-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0181?
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What is the minimum amount of 6391-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0181
  • 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 6391-0181 available by request