D408-0682 Screening compound: methyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate

D408-0682 Screening compound: methyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate
D408-0682 Screening compound: methyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0682
methyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}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

D408-0682

Molecular Formula

C16H13N3O3S (C16 H13 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(Nc1nc(cccc2)c2s1)=O)=O

InChI

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

InChI Key

ROJBEIBNGUGJDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.38

Polar Surface Area

63.477

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D408-0682 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D408-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0682?
Check Price and Availability of D408-0682, 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 D408-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0682
  • 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 D408-0682 available by request