C700-0383 Screening compound: 1,3-dimethyl 5-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzene-1,3-dicarboxylate

C700-0383 Screening compound: 1,3-dimethyl 5-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzene-1,3-dicarboxylate
C700-0383 Screening compound: 1,3-dimethyl 5-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0383
1,3-dimethyl 5-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzene-1,3-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

C700-0383

Molecular Formula

C20H22N2O5S (C20 H22 N2 O5 S)

Compound Name

1,3-dimethyl 5-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(CCSCCc2ncccc2)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C20H22N2O5S/c1-26-19(24)14-11-15(20(25)27-2)13-17(12-14)22-18(23)7-10-28-9-6-16-5-3-4-8-21-16/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,22,23)

InChI Key

QMYNDTAXEBERTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.64

Polar Surface Area

75.007

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C700-0383 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 C700-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0383?
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What is the minimum amount of C700-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0383
  • 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 C700-0383 available by request