1021-0159 Screening compound: methyl 2-hydroxy-4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

1021-0159 Screening compound: methyl 2-hydroxy-4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate
1021-0159 Screening compound: methyl 2-hydroxy-4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1021-0159
methyl 2-hydroxy-4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-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

1021-0159

Molecular Formula

C16H10N2O7 (C16 H10 N2 O7)

Compound Name

methyl 2-hydroxy-4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

IUPAC name

methyl 2-hydroxy-4-(4-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)benzoate

SMILES

COC(c(ccc(N(C(c1cccc([N+]([O-])=O)c11)=O)C1=O)c1)c1O)=O

InChI

InChI=1S/C16H10N2O7/c1-25-16(22)9-6-5-8(7-12(9)19)17-14(20)10-3-2-4-11(18(23)24)13(10)15(17)21/h2-7,19H,1H3

InChI Key

MBPCXRJBGYAGAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00592861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.26

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.997

Distribution Coefficient, logD

1.488

Water Solubility, LogSw

-2.64

Polar Surface Area

99.682

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

-11.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1021-0159 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1021-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1021-0159?
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What is the minimum amount of 1021-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1021-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1021-0159
  • 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 1021-0159 available by request