1347-1349 Screening compound: methyl 4-[(5-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoate

1347-1349 Screening compound: methyl 4-[(5-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoate
1347-1349 Screening compound: methyl 4-[(5-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1347-1349
methyl 4-[(5-amino-1,3-benzothiazol-2-yl)carbamoyl]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

1347-1349

Molecular Formula

C16H13N3O3S (C16 H13 N3 O3 S)

Compound Name

methyl 4-[(5-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoate

IUPAC name

methyl 4-[(5-amino-13-benzothiazol-2-yl)carbamoyl]benzoate

SMILES

COC(c(cc1)ccc1C(Nc1nc(cc(cc2)N)c2s1)=O)=O

InChI

InChI=1S/C16H13N3O3S/c1-22-15(21)10-4-2-9(3-5-10)14(20)19-16-18-12-8-11(17)6-7-13(12)23-16/h2-8H,17H2,1H3,(H,18,19,20)

InChI Key

SMTPPSNSANMJKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00785225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.55

Polar Surface Area

75.071

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1347-1349 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1347-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1347-1349?
Check Price and Availability of 1347-1349, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1347-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1347-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1347-1349
  • 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 1347-1349 available by request