R152-0774 Screening compound: 4-[(1-carboxy-2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid

R152-0774 Screening compound: 4-[(1-carboxy-2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid
R152-0774 Screening compound: 4-[(1-carboxy-2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R152-0774
4-[(1-carboxy-2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid

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

R152-0774

Molecular Formula

C17H15ClN2O6S (C17 H15 ClN2 O6 S)

Compound Name

4-[(1-carboxy-2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid

IUPAC name

4-[(1-carboxy-2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid

SMILES

[O-][N+](c(cc(cc1)C(O)=O)c1NC(CSCc1cccc(Cl)c1)C(O)=O)=O

InChI

InChI=1S/C17H15ClN2O6S/c18-12-3-1-2-10(6-12)8-27-9-14(17(23)24)19-13-5-4-11(16(21)22)7-15(13)20(25)26/h1-7,14,19H,8-9H2,(H,21,22)(H,23,24)/t14-/m0/s1

InChI Key

QMKXVRARDXBISH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03021446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.83

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.456

Distribution Coefficient, logD

-0.852

Water Solubility, LogSw

-3.94

Polar Surface Area

99.302

Acid Dissociation Constant (pKa)

3.09

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

R152-0774 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with R152-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R152-0774?
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What is the minimum amount of R152-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R152-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R152-0774
  • 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 R152-0774 available by request