1347-1337 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 3,5-diaminobenzoate

1347-1337 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 3,5-diaminobenzoate
1347-1337 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 3,5-diaminobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1347-1337
(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 3,5-diaminobenzoate

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

1347-1337

Molecular Formula

C16H13N3O4 (C16 H13 N3 O4)

Compound Name

(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 3,5-diaminobenzoate

IUPAC name

(13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl 35-diaminobenzoate

SMILES

Nc1cc(C(OCN(C(c2c3cccc2)=O)C3=O)=O)cc(N)c1

InChI

InChI=1S/C16H13N3O4/c17-10-5-9(6-11(18)7-10)16(22)23-8-19-14(20)12-3-1-2-4-13(12)15(19)21/h1-7H,8,17-18H2

InChI Key

KSILIRRGALTKJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00785213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.589

Distribution Coefficient, logD

1.589

Water Solubility, LogSw

-2.29

Polar Surface Area

92.708

Acid Dissociation Constant (pKa)

22.42

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1347-1337 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1347-1337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1347-1337?
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What is the minimum amount of 1347-1337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1347-1337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1347-1337
  • 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 1347-1337 available by request