L748-0604 Screening compound: methyl 2-{[(2-{5-[(propan-2-yl)carbamoyl]-1H-1,3-benzodiazol-1-yl}ethyl)carbamoyl]amino}benzoate

L748-0604 Screening compound: methyl 2-{[(2-{5-[(propan-2-yl)carbamoyl]-1H-1,3-benzodiazol-1-yl}ethyl)carbamoyl]amino}benzoate
L748-0604 Screening compound: methyl 2-{[(2-{5-[(propan-2-yl)carbamoyl]-1H-1,3-benzodiazol-1-yl}ethyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L748-0604
methyl 2-{[(2-{5-[(propan-2-yl)carbamoyl]-1H-1,3-benzodiazol-1-yl}ethyl)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

L748-0604

Molecular Formula

C22H25N5O4 (C22 H25 N5 O4)

Compound Name

methyl 2-{[(2-{5-[(propan-2-yl)carbamoyl]-1H-1,3-benzodiazol-1-yl}ethyl)carbamoyl]amino}benzoate

IUPAC name

methyl 2-{[(2-{5-[(propan-2-yl)carbamoyl]-1H-13-benzodiazol-1-yl}ethyl)carbamoyl]amino}benzoate

SMILES

CC(C)NC(c(cc1)cc2c1n(CCNC(Nc(cccc1)c1C(OC)=O)=O)cn2)=O

InChI

InChI=1S/C22H25N5O4/c1-14(2)25-20(28)15-8-9-19-18(12-15)24-13-27(19)11-10-23-22(30)26-17-7-5-4-6-16(17)21(29)31-3/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)(H2,23,26,30)

InChI Key

SUUPRLSGDNFTQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.928

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.92

Polar Surface Area

88.275

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L748-0604 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L748-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L748-0604?
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What is the minimum amount of L748-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L748-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L748-0604
  • 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 L748-0604 available by request